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(1'R(*),2'E,3S(*),4S(*))-3-t-butoxy-4-[1'-(methylthio)oct-2'-enyl]cyclopentanone
SpectraBase Compound ID IkWDMRs40C9
InChI InChI=1S/C18H32O2S/c1-6-7-8-9-10-11-17(21-5)15-12-14(19)13-16(15)20-18(2,3)4/h10-11,15-17H,6-9,12-13H2,1-5H3/b11-10+/t15-,16-,17+/m0/s1
InChIKey UFTRSAFCAMSBPG-SKSWYFMVSA-N
Mol Weight 312.5 g/mol
Molecular Formula C18H32O2S
Exact Mass 312.212301 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID CvRlBz3Ngh5
Name (1'R(*),2'E,3S(*),4S(*))-3-t-butoxy-4-[1'-(methylthio)oct-2'-enyl]cyclopentanone
CAS Registry Number 112775-25-4
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C18H32O2S
InChI InChI=1S/C18H32O2S/c1-6-7-8-9-10-11-17(21-5)15-12-14(19)13-16(15)20-18(2,3)4/h10-11,15-17H,6-9,12-13H2,1-5H3/b11-10+/t15-,16-,17+/m0/s1
InChIKey UFTRSAFCAMSBPG-SKSWYFMVSA-N
Molecular Weight 312.512 g/mol
SMILES [C@@]1([C@](CC(C1)=O)([C@@](\C=C\CCCCC)(SC)[H])[H])(OC(C)(C)C)[H]
SPLASH splash10-0005-9200000000-798c2d6380ad7a933ea7
Source of Spectrum B-40-961-27
Synonyms (3S,4S)-3-tert-butoxy-4-[(1R,2E)-1-(methylsulfanyl)-2-octenyl]cyclopentanone
Wiley ID 1313407