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Reference substances

Reference substances

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General information

Inventory

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Reference substance information

IUPAC name:
(+-)-Methyl trans-3-oxo-2-pentyl-1-cyclopentaneacetate
Synonyms
Names:
Identifier:
common name
Trans Hedione

CAS information

CAS number:
2570-03-8

Molecular and structural information

Molecular formula:
C13 H22 O3
Molecular weight:
226.31
SMILES notation:
O=C(OC)CC(C(C(=O)C1)CCCCC)C1
InChl:
InChI=1/C13H22O3/c1-3-4-5-6-11-10(7-8-12(11)14)9-13(15)16-2/h10-11H,3-9H2,1-2H3/t10-,11-/m0/s1/i1-12,2-12,3-12,4-12,5-12,6-12,7-12,8-12,9-12,10-12,11-12,12-12,13-12,14-16,15-16,16-16Structural formula:
Structural formula:
Chemical structure