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trans-(E)-3-(5-Ethyl-4-octen-4-yl)-2-(1-hydroxy-1-phenylmethyl)cyclopentanone
SpectraBase Compound ID 3SdVdJwti1w
InChI InChI=1S/C22H32O2/c1-4-10-16(6-3)18(11-5-2)19-14-15-20(23)21(19)22(24)17-12-8-7-9-13-17/h7-9,12-13,19,21-22,24H,4-6,10-11,14-15H2,1-3H3/b18-16+/t19-,21-,22?/m1/s1
InChIKey QVXLWZZFVWZSRS-XQPBWGNJSA-N
Mol Weight 328.5 g/mol
Molecular Formula C22H32O2
Exact Mass 328.24023 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID FHPt4ulKnYw
Name trans-(E)-3-(5-Ethyl-4-octen-4-yl)-2-(1-hydroxy-1-phenylmethyl)cyclopentanone
Alternate Name(s) (2S,3S)-3-[(1E)-2-ethyl-1-propyl-1-pentenyl]-2-[hydroxy(phenyl)methyl]cyclopentanone
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C22H32O2
InChI InChI=1S/C22H32O2/c1-4-10-16(6-3)18(11-5-2)19-14-15-20(23)21(19)22(24)17-12-8-7-9-13-17/h7-9,12-13,19,21-22,24H,4-6,10-11,14-15H2,1-3H3/b18-16+/t19-,21-,22?/m1/s1
InChIKey QVXLWZZFVWZSRS-XQPBWGNJSA-N
Molecular Weight 328.496 g/mol
SMILES OC([C@@]1([C@@](\C(=C/(CC)CCC)CCC)(CCC1=O)[H])[H])c1ccccc1
SPLASH splash10-0bwc-3900000000-4403db6a3b988424e7a3
Source of Spectrum F-51-4417-0
Wiley ID 791568