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2-Cyano-1-propionyl-1-butenyl methyl sulfide
SpectraBase Compound ID Dx3stzEVCKt
InChI InChI=1S/C9H13NOS/c1-4-7(6-10)9(12-3)8(11)5-2/h4-5H2,1-3H3/b9-7+
InChIKey SDRMPWWVEFWXMS-VQHVLOKHSA-N
Mol Weight 183.27 g/mol
Molecular Formula C9H13NOS
Exact Mass 183.071785 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID GDAy5TpO8Lg
Name 2-Cyano-1-propionyl-1-butenyl methyl sulfide
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C9H13NOS
InChI InChI=1S/C9H13NOS/c1-4-7(6-10)9(12-3)8(11)5-2/h4-5H2,1-3H3/b9-7+
InChIKey SDRMPWWVEFWXMS-VQHVLOKHSA-N
Molecular Weight 183.269 g/mol
SMILES C(\C(=C/(C(=O)CC)SC)CC)#N
SPLASH splash10-0a4i-9400000000-e43919e8ac45febd22b5
Source of Spectrum AJ-67-1497-5
Synonyms (2E)-2-ethyl-3-(methylsulfanyl)-4-oxo-2-hexenenitrile
Wiley ID 772605