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trans-(E)-3-(5-Ethyl-4-octen-4-yl)-2-(1-hydroxyhexyl)cyclopentanone
SpectraBase Compound ID 99prUdMvvUP
InChI InChI=1S/C21H38O2/c1-5-9-10-13-19(22)21-18(14-15-20(21)23)17(12-7-3)16(8-4)11-6-2/h18-19,21-22H,5-15H2,1-4H3/b17-16+/t18-,19?,21+/m1/s1
InChIKey VEJKEJHXUPWIQH-JURJOUEMSA-N
Mol Weight 322.5 g/mol
Molecular Formula C21H38O2
Exact Mass 322.28718 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 4aHjOIAioPN
Name trans-(E)-3-(5-Ethyl-4-octen-4-yl)-2-(1-hydroxyhexyl)cyclopentanone
Alternate Name(s) (2S,3S)-3-[(1E)-2-ethyl-1-propyl-1-pentenyl]-2-(1-hydroxyhexyl)cyclopentanone
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H38O2
InChI InChI=1S/C21H38O2/c1-5-9-10-13-19(22)21-18(14-15-20(21)23)17(12-7-3)16(8-4)11-6-2/h18-19,21-22H,5-15H2,1-4H3/b17-16+/t18-,19?,21+/m1/s1
InChIKey VEJKEJHXUPWIQH-JURJOUEMSA-N
Molecular Weight 322.533 g/mol
SMILES OC([C@@]1([C@@](\C(=C/(CC)CCC)CCC)(CCC1=O)[H])[H])CCCCC
SPLASH splash10-01po-5911000000-43cf34dac9e81989345b
Source of Spectrum F-51-4418-0
Wiley ID 791567