| SpectraBase Spectrum ID |
wSkkcYM5mX |
| Name |
N-Phenylcarbamic acid, 3-phenyl-2-propynyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
251.094628661 u |
| Formula |
C16H13NO2 |
| InChI |
InChI=1S/C16H13NO2/c18-16(17-15-11-5-2-6-12-15)19-13-7-10-14-8-3-1-4-9-14/h1-6,8-9,11-12H,13H2,(H,17,18) |
| InChIKey |
NMRDPIJSXIONMY-UHFFFAOYSA-N |
| Molecular Weight |
251.285 g/mol |
| SMILES |
C1=CC(C#CCOC(NC2=CC=CC=C2)=O)=CC=C1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.907379 |
