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

*Links on SpectraBase are not permalinks.
2-[3-carbethoxy-2-methyl-5-(2-nitrophenyl)pyrrol-1-yl]acetic acid
SpectraBase Compound ID J3jyrQ7Yn7O
InChI InChI=1S/C16H16N2O6/c1-3-24-16(21)12-8-14(17(10(12)2)9-15(19)20)11-6-4-5-7-13(11)18(22)23/h4-8H,3,9H2,1-2H3,(H,19,20)
InChIKey HQIZYLCHADHOQS-UHFFFAOYSA-N
Mol Weight 332.31 g/mol
Molecular Formula C16H16N2O6
Exact Mass 332.100836 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 7QhdnKKzVIc
Name 2-[3-carbethoxy-2-methyl-5-(2-nitrophenyl)pyrrol-1-yl]acetic acid
CAS Registry Number 70401-00-2
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H16N2O6
InChI InChI=1S/C16H16N2O6/c1-3-24-16(21)12-8-14(17(10(12)2)9-15(19)20)11-6-4-5-7-13(11)18(22)23/h4-8H,3,9H2,1-2H3,(H,19,20)
InChIKey HQIZYLCHADHOQS-UHFFFAOYSA-N
Molecular Weight 332.312 g/mol
SMILES OC(C[n]1c(cc(c1C)C(=O)OCC)-c1c(N(=O)=O)cccc1)=O
SPLASH splash10-0fla-2932000000-dd75dd8d302397dbad58
Source of Spectrum Y-16-211-0
Synonyms 2-[3-ethoxycarbonyl-2-methyl-5-(2-nitrophenyl)-1-pyrrolyl]acetic acid 2-[3-ethoxycarbonyl-2-methyl-5-(2-nitrophenyl)pyrrol-1-yl]acetic acid 2-[3-ethoxycarbonyl-2-methyl-5-(2-nitrophenyl)pyrrol-1-yl]ethanoic acid
Wiley ID 1329167