SpectraBase Spectrum ID |
1Cht1ISAyLq |
Name |
Benzamide, 4-acetoxy-N-(4-carbethoxyphenyl)- |
Comments |
Computed using SmartSpectra Model v1.42 |
Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass |
327.110672646 u |
Formula |
C18H17NO5 |
InChI |
InChI=1S/C18H17NO5/c1-3-23-18(22)14-4-8-15(9-5-14)19-17(21)13-6-10-16(11-7-13)24-12(2)20/h4-11H,3H2,1-2H3,(H,19,21) |
InChIKey |
PJTMFAWBEOIKKT-UHFFFAOYSA-N |
Molecular Weight |
327.336 g/mol |
SMILES |
C1=C(NC(=O)C2=CC=C(OC(=O)C)C=C2)C=CC(=C1)C(OCC)=O |
Spectrum/Structure Validation Score (Vapor Phase IR) |
0.855761 |