| SpectraBase Spectrum ID |
t7iCCr7FRg |
| Name |
N-Acetyl-dl-phenylalanine p-nitrophenyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
328.105921618 u |
| Formula |
C17H16N2O5 |
| InChI |
InChI=1S/C17H16N2O5/c1-12(20)18-16(11-13-5-3-2-4-6-13)17(21)24-15-9-7-14(8-10-15)19(22)23/h2-10,16H,11H2,1H3,(H,18,20) |
| InChIKey |
OBFGGGOSBTXXCS-UHFFFAOYSA-N |
| Molecular Weight |
328.324 g/mol |
| SMILES |
C(NC(C)=O)(C(OC1=CC=C(C=C1)N(=O)=O)=O)CC1=CC=CC=C1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.947767 |
