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1-Allyl-2-cyano-1-butenyl methyl sulfide
SpectraBase Compound ID 5JRNwPD0GGn
InChI InChI=1S/C9H13NS/c1-4-6-9(11-3)8(5-2)7-10/h4H,1,5-6H2,2-3H3/b9-8+
InChIKey SBAFDEWDNUJFNO-CMDGGOBGSA-N
Mol Weight 167.27 g/mol
Molecular Formula C9H13NS
Exact Mass 167.076871 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 57cCJQery0W
Name 1-Allyl-2-cyano-1-butenyl methyl sulfide
Alternate Name(s) (2E)-2-ethyl-3-(methylsulfanyl)-2,5-hexadienenitrile
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C9H13NS
InChI InChI=1S/C9H13NS/c1-4-6-9(11-3)8(5-2)7-10/h4H,1,5-6H2,2-3H3/b9-8+
InChIKey SBAFDEWDNUJFNO-CMDGGOBGSA-N
Molecular Weight 167.270 g/mol
SMILES C(\C(=C/(SC)CC=C)CC)#N
SPLASH splash10-0udi-4900000000-4310ceb648248ec7f944
Source of Spectrum AJ-67-1497-4
Wiley ID 772606