| SpectraBase Spectrum ID |
IlnxtLF18LJ |
| Name |
L-Phenylalanine, N-butoxycarbonyl-, isobutyl 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/c1-4-5-11-22-18(21)19-16(17(20)23-13-14(2)3)12-15-9-7-6-8-10-15/h6-10,14,16H,4-5,11-13H2,1-3H3,(H,19,21) |
| InChIKey |
NQASPPKWDRPKMK-UHFFFAOYSA-N |
| Molecular Weight |
321.417 g/mol |
| SMILES |
CCCCOC(NC(C(OCC(C)C)=O)CC1=CC=CC=C1)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.907553 |
