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(1'R(*),2'E,3S(*),4R(*))-3-t-butoxy-4-[3'-(methylthio)-1'-pentylprop-2'-enyl]cyclopentanone

View entire compound with spectra: 1 MS (GC)

(1'R(*),2'E,3S(*),4R(*))-3-t-butoxy-4-[3'-(methylthio)-1'-pentylprop-2'-enyl]cyclopentanone
SpectraBase Compound ID 1qkfNjoiJSW
InChI InChI=1S/C18H32O2S/c1-6-7-8-9-14(10-11-21-5)16-12-15(19)13-17(16)20-18(2,3)4/h10-11,14,16-17H,6-9,12-13H2,1-5H3/b11-10+/t14-,16+,17-/m0/s1
InChIKey QXGKYFQPZJTQTF-PHQYSITDSA-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 2F9bxN9Tpu6
Name (1'R(*),2'E,3S(*),4R(*))-3-t-butoxy-4-[3'-(methylthio)-1'-pentylprop-2'-enyl]cyclopentanone
Alternate Name(s) (3S,4R)-3-tert-butoxy-4-[(2E)-3-(methylsulfanyl)-1-pentyl-2-propenyl]cyclopentanone
CAS Registry Number 112836-96-1
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C18H32O2S
InChI InChI=1S/C18H32O2S/c1-6-7-8-9-14(10-11-21-5)16-12-15(19)13-17(16)20-18(2,3)4/h10-11,14,16-17H,6-9,12-13H2,1-5H3/b11-10+/t14-,16+,17-/m0/s1
InChIKey QXGKYFQPZJTQTF-PHQYSITDSA-N
Molecular Weight 312.512 g/mol
SMILES [C@@]1([C@](CC(C1)=O)([C@](\C=C\SC)(CCCCC)[H])[H])(OC(C)(C)C)[H]
SPLASH splash10-0a4j-9620000000-536f64fd5723ae19d32b
Source of Spectrum B-40-961-29
Wiley ID 1313410