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2-cyanoethyl 2,5-dihydrothiophene-2-carboxylate
SpectraBase Compound ID JFyGv9fwnZm
InChI InChI=1S/C8H9NO2S/c9-4-2-5-11-8(10)7-3-1-6-12-7/h1,3,7H,2,5-6H2
InChIKey HZWIWKBRYYGQQA-UHFFFAOYSA-N
Mol Weight 183.22 g/mol
Molecular Formula C8H9NO2S
Exact Mass 183.0354 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID GU7qEhc7K0O
Name 2-cyanoethyl 2,5-dihydrothiophene-2-carboxylate
Appearance Colorless oil
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 183.035399706 u
Formula C8H9NO2S
InChI InChI=1S/C8H9NO2S/c9-4-2-5-11-8(10)7-3-1-6-12-7/h1,3,7H,2,5-6H2
InChIKey HZWIWKBRYYGQQA-UHFFFAOYSA-N
Instrument Name Agilent 5975 MSD
Ionization Type EI
Literature Reference DOI 10.1021/jacs.2c02102
Molecular Weight 183.225 g/mol
Quality 149
SMILES C=1CSC(C1)C(=O)OCCC#N
SPLASH splash10-000i-9700000000-360682f2da1615437ae4
Source of Spectrum C-144-SM34-7 (DOI: 10.1021/jacs.2c02102)
Wiley ID 1910599