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4-Pentenethioic acid, 2-cyano-, S-methyl ester
SpectraBase Compound ID 3LwQERMkOzP
InChI InChI=1S/C7H9NOS/c1-3-4-6(5-8)7(9)10-2/h3,6H,1,4H2,2H3
InChIKey DGRFQZWVQKKROX-UHFFFAOYSA-N
Mol Weight 155.21 g/mol
Molecular Formula C7H9NOS
Exact Mass 155.040485 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID JKjJ6RjtMoO
Name 4-Pentenethioic acid, 2-cyano-, S-methyl ester
CAS Registry Number 131297-27-3
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C7H9NOS
InChI InChI=1S/C7H9NOS/c1-3-4-6(5-8)7(9)10-2/h3,6H,1,4H2,2H3
InChIKey DGRFQZWVQKKROX-UHFFFAOYSA-N
Molecular Weight 155.215 g/mol
SMILES C(C(C#N)CC=C)(=O)SC
SPLASH splash10-0fc0-9100000000-e2cf3060ace0c3a5bf52
Source of Spectrum J-56-975-32
Synonyms 2-cyano-4-pentenethioic acid S-methyl ester 2-cyanopent-4-enethioic acid S-methyl ester S-methyl 2-cyanopent-4-enethioate
Wiley ID 1152652