For citations & permissions, please see: Citations & Permissions - Wiley Science Solutions*

*Links on SpectraBase are not permalinks.
2-Propenoic acid, 2-cyano-3-[(methylsulfonyl)oxy]-3-(4-nitrophenyl)-, methyl ester, (E)-
SpectraBase Compound ID DOissyWbqpV
InChI InChI=1S/C12H10N2O7S/c1-20-12(15)10(7-13)11(21-22(2,18)19)8-3-5-9(6-4-8)14(16)17/h3-6H,1-2H3/b11-10+
InChIKey APUODCKSLZGSSJ-ZHACJKMWSA-N
Mol Weight 326.28 g/mol
Molecular Formula C12H10N2O7S
Exact Mass 326.020872 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

View the Full Spectrum for FREE!

The full spectrum can only be viewed using a FREE account.

SpectraBase Spectrum ID 5H0GBp16pUJ
Name 2-Propenoic acid, 2-cyano-3-[(methylsulfonyl)oxy]-3-(4-nitrophenyl)-, methyl ester, (E)-
Alternate Name(s) (E)-.alpha.-cyano-.beta.-(mesyloxy)-p-nitrocinnamates Methyl (2E)-2-cyano-3-[(methylsulfonyl)oxy]-3-(4-nitrophenyl)-2-propenoate
CAS Registry Number 112220-51-6
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H10N2O7S
InChI InChI=1S/C12H10N2O7S/c1-20-12(15)10(7-13)11(21-22(2,18)19)8-3-5-9(6-4-8)14(16)17/h3-6H,1-2H3/b11-10+
InChIKey APUODCKSLZGSSJ-ZHACJKMWSA-N
Molecular Weight 326.279 g/mol
SMILES CS(O\C(=C\(C(=O)OC)C#N)c1ccc(N(=O)=O)cc1)(=O)=O
SPLASH splash10-0udi-0921000000-39af6f480cf9fdd059f3
Source of Spectrum C-110-921-0
Wiley ID 1324361