| SpectraBase Spectrum ID |
CuYouwf6GEg |
| Name |
Methyl 4-(isopropylcarbamoyl)benzoate |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
221.105193344 u |
| Formula |
C12H15NO3 |
| InChI |
InChI=1S/C12H15NO3/c1-8(2)13-11(14)9-4-6-10(7-5-9)12(15)16-3/h4-8H,1-3H3,(H,13,14) |
| InChIKey |
YDJNKBLBCLNXJY-UHFFFAOYSA-N |
| Molecular Weight |
221.256 g/mol |
| SMILES |
C(C1=CC=C(C=C1)C(NC(C)C)=O)(=O)OC |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.901887 |
