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4-(O-methyl-aci-nitro)thiocrotonic acid-S-ethylester
SpectraBase Compound ID BzpNBznr49e
InChI InChI=1S/C7H11NO3S/c1-3-12-7(9)5-4-6-8(10)11-2/h4-6H,3H2,1-2H3
InChIKey FBHWIVWXRYKXRJ-UHFFFAOYSA-N
Mol Weight 189.23 g/mol
Molecular Formula C7H11NO3S
Exact Mass 189.045964 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 8TDglNoRNLh
Name 4-(O-methyl-aci-nitro)thiocrotonic acid-S-ethylester
Alternate Name(s) S-ethyl 4-(methoxyoxidoazaneylidene)but-2-enethioate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C7H11NO3S
InChI InChI=1S/C7H11NO3S/c1-3-12-7(9)5-4-6-8(10)11-2/h4-6H,3H2,1-2H3
InChIKey FBHWIVWXRYKXRJ-UHFFFAOYSA-N
Literature Reference DOI 10.1002/cber.19761090822
Molecular Weight 189.229 g/mol
SMILES C(C=CC=[N+](OC)[O-])(=O)SCC
SPLASH splash10-0002-9300000000-523f77c60f449daff6e8
Source of Spectrum K-109-2900-9
Wiley ID 1794187