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(1'R(*),2'Z,3R(*),4R(*))-3-t-butoxy-4-[1'-(phenylthio)oct-2'-enyl]cyclopentanone

View entire compound with spectra: 1 MS (GC)

(1'R(*),2'Z,3R(*),4R(*))-3-t-butoxy-4-[1'-(phenylthio)oct-2'-enyl]cyclopentanone
SpectraBase Compound ID 9bpHiLtwpQ0
InChI InChI=1S/C23H34O2S/c1-5-6-7-8-12-15-22(26-19-13-10-9-11-14-19)20-16-18(24)17-21(20)25-23(2,3)4/h9-15,20-22H,5-8,16-17H2,1-4H3/b15-12-/t20-,21-,22-/m1/s1
InChIKey CUMXCGDQOJWREO-JBLQYQQVSA-N
Mol Weight 374.6 g/mol
Molecular Formula C23H34O2S
Exact Mass 374.227952 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 7qYqPlcNnym
Name (1'R(*),2'Z,3R(*),4R(*))-3-t-butoxy-4-[1'-(phenylthio)oct-2'-enyl]cyclopentanone
CAS Registry Number 112836-93-8
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C23H34O2S
InChI InChI=1S/C23H34O2S/c1-5-6-7-8-12-15-22(26-19-13-10-9-11-14-19)20-16-18(24)17-21(20)25-23(2,3)4/h9-15,20-22H,5-8,16-17H2,1-4H3/b15-12-/t20-,21-,22-/m1/s1
InChIKey CUMXCGDQOJWREO-JBLQYQQVSA-N
Molecular Weight 374.583 g/mol
SMILES [C@]1([C@]([C@](Sc2ccccc2)(\C=C/CCCCC)[H])(CC(C1)=O)[H])(OC(C)(C)C)[H]
SPLASH splash10-0002-9320000000-2e0213e8b213cf82b559
Source of Spectrum B-40-959-18
Synonyms (3R,4R)-3-tert-butoxy-4-[(1R,2Z)-1-(phenylsulfanyl)-2-octenyl]cyclopentanone
Wiley ID 1356824