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Reference substances

Reference substances

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General information

Inventory

EC number:
400-600-6
EC name:
2-methyl-1-(4-methylthiophenyl)-2-morpholinopropan-1-one
CAS number:
-
Description:
ACETOCURE 97; GENOCURE*PMP; IGM 4817; IRGACURE 907; SPEEDCURE 97

No inventory information available

Reference substance information

IUPAC name:
2-methyl-1-[4-(methylsulfanyl)phenyl]-2-(morpholin-4-yl)propan-1-one
Synonyms
Names:
Identifier:
CAS number
71868-10-5
Identifier:
IUPAC name
2-methyl-1-[4-(methylsulfanyl)phenyl]-2-(morpholin-4-yl)propan-1-one
Identifier:
other: Molecular formula
C15H21NO2S
Identifier:
other: SMILES notation
CSC1=CC=C(C=C1)C(=O)C(C)(C)N1CCOCC1
2-methyl-1-[4-(methylthio)phenyl]-2-(morpholin-4-yl)propan-1-one

CAS information

CAS number:
71868-10-5

Molecular and structural information

Molecular formula:
C15 H21 N O2 S
Molecular weight:
279.403
SMILES notation:
CC(C)(N1CCOCC1)C(=O)c2ccc(SC)cc2
InChl:
InChI=1S/C15H21NO2S/c1-15(2,16-8-10-18-11-9-16)14(17)12-4-6-13(19-3)7-5-12/h4-7H,8-11H2,1-3H3 AuxInfo=1/0/N:13,14,19,7,8,11,12,15,16,18,17,4,9,2,1,3,5,6,10/E:(1,2)(4,5)(6,7)(8,9)(10,11)/rA:19CCNCOOCCCSCCCCCCCCC/rB:s1;s1;s2;d2;;s4;d+4;;s9;d-7s9;s8d+9;s1;s1;s3;s3;s6s16;s6s15;s10;/rC:6.7284,-4.6201,0;6.7284,-3.0526,0;6.7284,-6.096,0;5.335,-2.2916,0;8.0576,-2.2459,0;6.7284,-9.1565,0;4.015,-3.0617,0;5.3442,-.7609,0;2.7134,-.7609,0;1.3566,-.0091,0;2.7317,-2.3008,0;4.0609,0,0;8.2777,-4.6201,0;5.1517,-4.6201,0;5.3533,-6.9026,0;8.0759,-6.9026,0;8.0759,-8.3785,0;5.3533,-8.3785,0;0,-.8157,0;
Structural formula:
Chemical structure