SpectraBase Spectrum ID |
2iAqcBbhJTq |
Name |
N-(1,3-Benzodioxol-5-ylmethyl)benzamide |
Comments |
Computed using SmartSpectra Model v1.42 |
Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass |
255.089543280 u |
Formula |
C15H13NO3 |
InChI |
InChI=1S/C15H13NO3/c17-15(12-4-2-1-3-5-12)16-9-11-6-7-13-14(8-11)19-10-18-13/h1-8H,9-10H2,(H,16,17) |
InChIKey |
ZHSOGONPVBHPEW-UHFFFAOYSA-N |
Molecular Weight |
255.273 g/mol |
SMILES |
C(NCC=1C=C2OCOC2=CC1)(=O)C=1C=CC=CC1 |
Spectrum/Structure Validation Score (Vapor Phase IR) |
0.9482 |