SpectraBase Spectrum ID |
LKdd798jCyL |
Name |
N-(3-Hydroxy-7-nitro-2,3-dihydro-1-benzofuran-5-yl)acetamide |
Comments |
Computed using SmartSpectra Model v1.42 |
Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass |
238.058971425 u |
Formula |
C10H10N2O5 |
InChI |
InChI=1S/C10H10N2O5/c1-5(13)11-6-2-7-9(14)4-17-10(7)8(3-6)12(15)16/h2-3,9,14H,4H2,1H3,(H,11,13) |
InChIKey |
ZQXSJZQVPYEGML-UHFFFAOYSA-N |
Molecular Weight |
238.199 g/mol |
SMILES |
C1(=C2C(=CC(=C1)NC(C)=O)C(O)CO2)N(=O)=O |
Spectrum/Structure Validation Score (Vapor Phase IR) |
0.890209 |