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

*Links on SpectraBase are not permalinks.
3-Thiophenecarboxylic acid, 5-acetyl-4-methyl-2-[[2-(3-nitro-1H-pyrazol-1-yl)acetyl]amino]-, ethyl ester
SpectraBase Compound ID 8XpjWpwBFhY
InChI InChI=1S/C15H16N4O6S/c1-4-25-15(22)12-8(2)13(9(3)20)26-14(12)16-11(21)7-18-6-5-10(17-18)19(23)24/h5-6H,4,7H2,1-3H3,(H,16,21)
InChIKey WNRQQMYHIRXDST-UHFFFAOYSA-N
Mol Weight 380.38 g/mol
Molecular Formula C15H16N4O6S
Exact Mass 380.079055 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 ES3BMNFYL3b
Name 3-Thiophenecarboxylic acid, 5-acetyl-4-methyl-2-[[2-(3-nitro-1H-pyrazol-1-yl)acetyl]amino]-, ethyl ester
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C15H16N4O6S
InChI InChI=1S/C15H16N4O6S/c1-4-25-15(22)12-8(2)13(9(3)20)26-14(12)16-11(21)7-18-6-5-10(17-18)19(23)24/h5-6H,4,7H2,1-3H3,(H,16,21)
InChIKey WNRQQMYHIRXDST-UHFFFAOYSA-N
Molecular Weight 380.375 g/mol
SMILES N(c1c(c(c(s1)C(C)=O)C)C(OCC)=O)C(=O)C[n]1nc(cc1)N(=O)=O
SPLASH splash10-0a59-9286000000-c98b2fa36b3d61d73dba
Source of Spectrum IY-1-4493-9
Synonyms 5-Acetyl-4-methyl-2-[[2-(3-nitro-1-pyrazolyl)-1-oxoethyl]amino]-3-thiophenecarboxylic acid ethyl ester Ethyl 5-acetyl-4-methyl-2-[[2-(3-nitropyrazol-1-yl)acetyl]amino]thiophene-3-carboxylate Ethyl 5-ethanoyl-4-methyl-2-[2-(3-nitropyrazol-1-yl)ethanoylamino]thiophene-3-carboxylate
Wiley ID 1652922