| SpectraBase Spectrum ID |
APg0sniNh74 |
| Name |
Propanoic acid, 2-[(1-phenylethyl)carbamoyl]-, methyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
235.120843408 u |
| Formula |
C13H17NO3 |
| InChI |
InChI=1S/C13H17NO3/c1-9(13(16)17-3)12(15)14-10(2)11-7-5-4-6-8-11/h4-10H,1-3H3,(H,14,15) |
| InChIKey |
DSHIXNFEUOCKGW-UHFFFAOYSA-N |
| Molecular Weight |
235.283 g/mol |
| SMILES |
C1(=CC=CC=C1)C(NC(C(C)C(OC)=O)=O)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.925311 |
![Propanoic acid, 2-[(1-phenylethyl)carbamoyl]-, methyl ester](/api/spectrum/APg0sniNh74/structure.png?h=300&w=458 "Propanoic acid, 2-[(1-phenylethyl)carbamoyl]-, methyl ester")
