| SpectraBase Spectrum ID |
KbIZYGJgFzQ |
| Name |
L-Phenylalanine, N-(2-chloroethoxycarbonyl)-, butyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
327.123735888 u |
| Formula |
C16H22ClNO4 |
| InChI |
InChI=1S/C16H22ClNO4/c1-2-3-10-21-15(19)14(18-16(20)22-11-9-17)12-13-7-5-4-6-8-13/h4-8,14H,2-3,9-12H2,1H3,(H,18,20) |
| InChIKey |
BJIAQOUNEGNPEI-UHFFFAOYSA-N |
| Molecular Weight |
327.808 g/mol |
| SMILES |
C1=CC=C(C=C1)CC(NC(OCCCl)=O)C(OCCCC)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.965198 |
