| SpectraBase Spectrum ID |
58JbOlmpQWw |
| Name |
L-Phenylalanine, N-neopentyloxycarbonyl-, butyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
335.209658414 u |
| Formula |
C19H29NO4 |
| InChI |
InChI=1S/C19H29NO4/c1-5-6-12-23-17(21)16(13-15-10-8-7-9-11-15)20-18(22)24-14-19(2,3)4/h7-11,16H,5-6,12-14H2,1-4H3,(H,20,22) |
| InChIKey |
CHFJGRQWKYYWJC-UHFFFAOYSA-N |
| Molecular Weight |
335.444 g/mol |
| SMILES |
CC(COC(NC(C(OCCCC)=O)CC1=CC=CC=C1)=O)(C)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.839389 |
