| SpectraBase Spectrum ID |
Cmx1uuBrwvp |
| Name |
L-Phenylalanine, N-neopentyloxycarbonyl-, propyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
321.194008349 u |
| Formula |
C18H27NO4 |
| InChI |
InChI=1S/C18H27NO4/c1-5-11-22-16(20)15(12-14-9-7-6-8-10-14)19-17(21)23-13-18(2,3)4/h6-10,15H,5,11-13H2,1-4H3,(H,19,21) |
| InChIKey |
SKTZFCVZFUMCAZ-UHFFFAOYSA-N |
| Molecular Weight |
321.417 g/mol |
| SMILES |
CC(COC(NC(C(OCCC)=O)CC1=CC=CC=C1)=O)(C)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.9296 |
