SpectraBase Spectrum ID |
KbepC68OKpG |
Name |
Methyl N-{2-acetyl-5-[(methoxycarbonyl)amino]phenyl}carbamate |
Comments |
Computed using SmartSpectra Model v1.42 |
Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass |
266.090271554 u |
Formula |
C12H14N2O5 |
InChI |
InChI=1S/C12H14N2O5/c1-7(15)9-5-4-8(13-11(16)18-2)6-10(9)14-12(17)19-3/h4-6H,1-3H3,(H,13,16)(H,14,17) |
InChIKey |
QMEGGNFJUUYLFK-UHFFFAOYSA-N |
SMILES |
C1(=CC=C(C(=C1)NC(OC)=O)C(C)=O)NC(OC)=O |
Spectrum/Structure Validation Score (Vapor Phase IR) |
0.885319 |