| SpectraBase Spectrum ID |
81Wd3qBJyz2 |
| Name |
alpha-(p-Nitrophenoxy)-p-toluic acid, 2-propynyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
311.079372518 u |
| Formula |
C17H13NO5 |
| InChI |
InChI=1S/C17H13NO5/c1-2-11-22-17(19)14-5-3-13(4-6-14)12-23-16-9-7-15(8-10-16)18(20)21/h1,3-10H,11-12H2 |
| InChIKey |
KZJUAXJJSWOHJW-UHFFFAOYSA-N |
| SMILES |
N(=O)(=O)C1=CC=C(C=C1)OCC=1C=CC(=CC1)C(OCC#C)=O |
| Spectrum/Structure Validation Score (Raman) |
0.8791 |
