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Benzenepropanoic acid, alpha-methyl-4-nitro-

View entire compound with spectra: 2 FTIR, and 1 Raman

Benzenepropanoic acid, alpha-methyl-4-nitro-
SpectraBase Compound ID 5tLuctAkYuq
InChI InChI=1S/C10H11NO4/c1-7(10(12)13)6-8-2-4-9(5-3-8)11(14)15/h2-5,7H,6H2,1H3,(H,12,13)
InChIKey SQSQBTYAUOXOJI-UHFFFAOYSA-N
Mol Weight 209.2 g/mol
Molecular Formula C10H11NO4
Exact Mass 209.068808 g/mol

Raman Spectrum

Raman Spectrum

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SpectraBase Spectrum ID 5QvFu50KHfI
Name Benzenepropanoic acid, alpha-methyl-4-nitro-
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 209.068807834 u
Formula C10H11NO4
InChI InChI=1S/C10H11NO4/c1-7(10(12)13)6-8-2-4-9(5-3-8)11(14)15/h2-5,7H,6H2,1H3,(H,12,13)
InChIKey SQSQBTYAUOXOJI-UHFFFAOYSA-N
Molecular Weight 209.201 g/mol
SMILES OC(C(CC1=CC=C(C=C1)[N+]([O-])=O)C)=O
Spectrum/Structure Validation Score (Raman) 0.973786