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

*Links on SpectraBase are not permalinks.
1H-Pyrazole-5-carboxylic acid, 3-[[(6-cyano-1,3-benzodioxol-5-yl)amino]carbonyl]-1-methyl-, methyl ester
SpectraBase Compound ID 2OaNVfJxydk
InChI InChI=1S/C15H12N4O5/c1-19-11(15(21)22-2)4-10(18-19)14(20)17-9-5-13-12(23-7-24-13)3-8(9)6-16/h3-5H,7H2,1-2H3,(H,17,20)
InChIKey VHKXOHQHAZNWRI-UHFFFAOYSA-N
Mol Weight 328.28 g/mol
Molecular Formula C15H12N4O5
Exact Mass 328.080769 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 JsnLHJRHmfR
Name 1H-Pyrazole-5-carboxylic acid, 3-[[(6-cyano-1,3-benzodioxol-5-yl)amino]carbonyl]-1-methyl-, methyl ester
Alternate Name(s) 5-[[(6-cyano-1,3-benzodioxol-5-yl)amino]-oxomethyl]-2-methyl-3-pyrazolecarboxylic acid methyl ester Methyl 5-[(6-cyano-1,3-benzodioxol-5-yl)carbamoyl]-2-methylpyrazole-3-carboxylate Methyl 5-[(6-cyano-1,3-benzodioxol-5-yl)carbamoyl]-2-methyl-pyrazole-3-carboxylate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C15H12N4O5
InChI InChI=1S/C15H12N4O5/c1-19-11(15(21)22-2)4-10(18-19)14(20)17-9-5-13-12(23-7-24-13)3-8(9)6-16/h3-5H,7H2,1-2H3,(H,17,20)
InChIKey VHKXOHQHAZNWRI-UHFFFAOYSA-N
Molecular Weight 328.284 g/mol
SMILES N(c1c(C#N)cc2c(c1)OCO2)C(c1cc([n](n1)C)C(=O)OC)=O
SPLASH splash10-014i-6902000000-3875acf53b36d7329105
Source of Spectrum IY-2-4765-3
Wiley ID 1655636