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2-Cyclopentene-1-nonanoic acid, 5-butyl-1-hydroxy-2,3-dimethyl-4-oxo-, methyl ester, trans-
SpectraBase Compound ID Hj2PGSR09mF
InChI InChI=1S/C21H36O4/c1-5-6-13-18-20(23)16(2)17(3)21(18,24)15-12-10-8-7-9-11-14-19(22)25-4/h18,24H,5-15H2,1-4H3/t18-,21+/m0/s1
InChIKey SPHSCUIAVDIEGC-GHTZIAJQSA-N
Mol Weight 352.5 g/mol
Molecular Formula C21H36O4
Exact Mass 352.26136 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID G2GlrefKKAp
Name 2-Cyclopentene-1-nonanoic acid, 5-butyl-1-hydroxy-2,3-dimethyl-4-oxo-, methyl ester, trans-
Alternate Name(s) 9-(5-Butyl-1-hydroxy-3,4-dimethyl-4-oxo-2-cyclopentenyl)nonansaure-methylester Methyl 9-[(1S,5R)-5-butyl-1-hydroxy-2,3-dimethyl-4-oxo-2-cyclopenten-1-yl]nonanoate
CAS Registry Number 99290-33-2
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H36O4
InChI InChI=1S/C21H36O4/c1-5-6-13-18-20(23)16(2)17(3)21(18,24)15-12-10-8-7-9-11-14-19(22)25-4/h18,24H,5-15H2,1-4H3/t18-,21+/m0/s1
InChIKey SPHSCUIAVDIEGC-GHTZIAJQSA-N
Molecular Weight 352.515 g/mol
SMILES O[C@@]1(C(=C(C(=O)[C@@]1(CCCC)[H])C)C)CCCCCCCCC(=O)OC
SPLASH splash10-001i-0902000000-742088f65bfdab125b4d
Source of Spectrum H-68-1633-5
Wiley ID 1343516