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3,7-Dimethyl-3-(dodecylthio)oct-6-en-1-al

View entire compound with spectra: 1 MS (GC)

3,7-Dimethyl-3-(dodecylthio)oct-6-en-1-al
SpectraBase Compound ID CBhwNbwBMdg
InChI InChI=1S/C22H42OS/c1-5-6-7-8-9-10-11-12-13-14-20-24-22(4,18-19-23)17-15-16-21(2)3/h16,19H,5-15,17-18,20H2,1-4H3
InChIKey RRZDUIACYGDVFL-UHFFFAOYSA-N
Mol Weight 354.6 g/mol
Molecular Formula C22H42OS
Exact Mass 354.295637 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 5lUMvh6CteP
Name 3,7-Dimethyl-3-(dodecylthio)oct-6-en-1-al
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C22H42OS
InChI InChI=1S/C22H42OS/c1-5-6-7-8-9-10-11-12-13-14-20-24-22(4,18-19-23)17-15-16-21(2)3/h16,19H,5-15,17-18,20H2,1-4H3
InChIKey RRZDUIACYGDVFL-UHFFFAOYSA-N
Molecular Weight 354.637 g/mol
SMILES C(SCCCCCCCCCCCC)(CC=O)(CCC=C(C)C)C
SPLASH splash10-0159-9600000000-b31ec5d2cac575ed732d
Source of Spectrum D9-20-95-3c
Synonyms 3-(dodecylthio)-3,7-dimethyl-6-octenal 3-Dodecylsulfanyl-3,7-dimethyloct-6-enal 3-Dodecylsulfanyl-3,7-dimethyl-oct-6-enal
Wiley ID 1695572