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4'-Tert-butylmaleanilic acid

View entire compound with spectra: 2 NMR, 1 FTIR, 1 Raman, and 1 UV-Vis

4'-Tert-butylmaleanilic acid
SpectraBase Compound ID LnFTF48Qg8A
InChI InChI=1S/C14H17NO3/c1-14(2,3)10-4-6-11(7-5-10)15-12(16)8-9-13(17)18/h4-9H,1-3H3,(H,15,16)(H,17,18)/b9-8-
InChIKey KLLUTQBIYDOURL-HJWRWDBZSA-N
Mol Weight 247.29 g/mol
Molecular Formula C14H17NO3
Exact Mass 247.120843 g/mol

Raman Spectrum

Raman Spectrum

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SpectraBase Spectrum ID 9KhxWWUKt1b
Name 4'-Tert-butylmaleanilic acid
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 247.120843408 u
Formula C14H17NO3
InChI InChI=1S/C14H17NO3/c1-14(2,3)10-4-6-11(7-5-10)15-12(16)8-9-13(17)18/h4-9H,1-3H3,(H,15,16)(H,17,18)/b9-8-
InChIKey KLLUTQBIYDOURL-HJWRWDBZSA-N
Molecular Weight 247.294 g/mol
SMILES N(C=1C=CC(=CC1)C(C)(C)C)C(\C=C/C(=O)O)=O
Spectrum/Structure Validation Score (Raman) 0.929025