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(E)-1-(Methylthio)-4-pentylundec-5-en-3-one

View entire compound with spectra: 1 MS (GC)

(E)-1-(Methylthio)-4-pentylundec-5-en-3-one
SpectraBase Compound ID KDbvcfp9sBO
InChI InChI=1S/C17H32OS/c1-4-6-8-9-11-13-16(12-10-7-5-2)17(18)14-15-19-3/h11,13,16H,4-10,12,14-15H2,1-3H3/b13-11+
InChIKey QSRIIMNZYWYLBE-ACCUITESSA-N
Mol Weight 284.5 g/mol
Molecular Formula C17H32OS
Exact Mass 284.217387 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID JWoVfxSR56g
Name (E)-1-(Methylthio)-4-pentylundec-5-en-3-one
Comments Less than 3 mono-isotopic peaks
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C17H32OS
InChI InChI=1S/C17H32OS/c1-4-6-8-9-11-13-16(12-10-7-5-2)17(18)14-15-19-3/h11,13,16H,4-10,12,14-15H2,1-3H3/b13-11+
InChIKey QSRIIMNZYWYLBE-ACCUITESSA-N
Molecular Weight 284.502 g/mol
SMILES C(=O)(C(\C=C\CCCCC)CCCCC)CCSC
SPLASH splash10-0udi-0900000000-6a7daba5e5ca9a3b5f3e
Source of Spectrum F-65-5114-3
Wiley ID 1680000