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dl-2-[(Benzylamino)methyl]succinanilic acid
SpectraBase Compound ID 9ojFA6Amtml
InChI InChI=1S/C18H20N2O3/c21-17(20-16-9-5-2-6-10-16)11-15(18(22)23)13-19-12-14-7-3-1-4-8-14/h1-10,15,19H,11-13H2,(H,20,21)(H,22,23)
InChIKey VCIUAGPQTPYECB-UHFFFAOYSA-N
Mol Weight 312.37 g/mol
Molecular Formula C18H20N2O3
Exact Mass 312.147393 g/mol

Raman Spectrum

Raman Spectrum

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SpectraBase Spectrum ID FGDH3iy9Cjs
Name dl-2-[(Benzylamino)methyl]succinanilic acid
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 312.147392509 u
Formula C18H20N2O3
InChI InChI=1S/C18H20N2O3/c21-17(20-16-9-5-2-6-10-16)11-15(18(22)23)13-19-12-14-7-3-1-4-8-14/h1-10,15,19H,11-13H2,(H,20,21)(H,22,23)
InChIKey VCIUAGPQTPYECB-UHFFFAOYSA-N
SMILES N(C=1C=CC=CC1)C(CC(CNCC=1C=CC=CC1)C(O)=O)=O
Spectrum/Structure Validation Score (Raman) 0.9822