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2-Cyano-1-isobutyryl-1-butenyl methyl sulfide
SpectraBase Compound ID 5QFzCqG0OoH
InChI InChI=1S/C10H15NOS/c1-5-8(6-11)10(13-4)9(12)7(2)3/h7H,5H2,1-4H3/b10-8+
InChIKey BPRPOABBWCCUCJ-CSKARUKUSA-N
Mol Weight 197.3 g/mol
Molecular Formula C10H15NOS
Exact Mass 197.087435 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID KZN8F8NZrMT
Name 2-Cyano-1-isobutyryl-1-butenyl methyl sulfide
Alternate Name(s) (2E)-2-ethyl-5-methyl-3-(methylsulfanyl)-4-oxo-2-hexenenitrile
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C10H15NOS
InChI InChI=1S/C10H15NOS/c1-5-8(6-11)10(13-4)9(12)7(2)3/h7H,5H2,1-4H3/b10-8+
InChIKey BPRPOABBWCCUCJ-CSKARUKUSA-N
Molecular Weight 197.296 g/mol
SMILES C(\C(=C/(C#N)CC)SC)(=O)C(C)C
SPLASH splash10-000x-9300000000-65a83a83b2c56c3c0f59
Source of Spectrum AJ-67-1497-5
Wiley ID 772604