| SpectraBase Spectrum ID |
K9VB6Jt9Zof |
| Name |
2-Hydroxy-5-nitrophenylbutanoate |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
225.063722453 u |
| Formula |
C10H11NO5 |
| InChI |
InChI=1S/C10H11NO5/c1-2-3-10(13)16-9-6-7(11(14)15)4-5-8(9)12/h4-6,12H,2-3H2,1H3 |
| InChIKey |
IVZQNRPVAYGVJK-UHFFFAOYSA-N |
| Molecular Weight |
225.200 g/mol |
| SMILES |
C=1(N(=O)=O)C=C(OC(=O)CCC)C(=CC1)O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.891716 |
