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3-(4-Ethoxy-3-nitrophenyl)glutaconic acid

View entire compound with spectra: 1 NMR, 1 FTIR, and 1 Raman

3-(4-Ethoxy-3-nitrophenyl)glutaconic acid
SpectraBase Compound ID 8cAWvUolpse
InChI InChI=1S/C13H13NO7/c1-2-21-11-4-3-8(5-10(11)14(19)20)9(6-12(15)16)7-13(17)18/h3-6H,2,7H2,1H3,(H,15,16)(H,17,18)
InChIKey NHSLBUPWXFVQKK-UHFFFAOYSA-N
Mol Weight 295.25 g/mol
Molecular Formula C13H13NO7
Exact Mass 295.069202 g/mol

Raman Spectrum

Raman Spectrum

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SpectraBase Spectrum ID KhTs5EeIRxe
Name 3-(4-Ethoxy-3-nitrophenyl)glutaconic acid
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 295.069201756 u
Formula C13H13NO7
InChI InChI=1S/C13H13NO7/c1-2-21-11-4-3-8(5-10(11)14(19)20)9(6-12(15)16)7-13(17)18/h3-6H,2,7H2,1H3,(H,15,16)(H,17,18)
InChIKey NHSLBUPWXFVQKK-UHFFFAOYSA-N
Molecular Weight 295.247 g/mol
SMILES OC(C=C(C=1C=C(C(=CC1)OCC)N(=O)=O)CC(O)=O)=O
Spectrum/Structure Validation Score (Raman) 0.907712