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 |