For citations & permissions, please see: Citations & Permissions - Wiley Science Solutions*

*Links on SpectraBase are not permalinks.
(1'R(*),2'E,3R(*),4R(*))-3-t-butoxy-4-[1'-(methylthio)oct-2'-enyl]cyclopentanone
SpectraBase Compound ID 5LDRLAxzgh7
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-/m1/s1
InChIKey UFTRSAFCAMSBPG-OCZPHVOWSA-N
Mol Weight 312.5 g/mol
Molecular Formula C18H32O2S
Exact Mass 312.212301 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

View the Full Spectrum for FREE!

The full spectrum can only be viewed using a FREE account.

SpectraBase Spectrum ID 5VBf3A6lB1B
Name (1'R(*),2'E,3R(*),4R(*))-3-t-butoxy-4-[1'-(methylthio)oct-2'-enyl]cyclopentanone
CAS Registry Number 112836-95-0
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-/m1/s1
InChIKey UFTRSAFCAMSBPG-OCZPHVOWSA-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 splash10-0a4i-9210000000-33ab4d328e2e2cadb5f6
Source of Spectrum B-40-960-26
Synonyms (3R,4R)-3-tert-butoxy-4-[(2E)-1-(methylsulfanyl)-2-octenyl]cyclopentanone
Wiley ID 1313406