| SpectraBase Spectrum ID |
3EkFm0W1hqr |
| Name |
L-Phenylalanine, N-isobutoxycarbonyl-, pentyl 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/c1-4-5-9-12-23-18(21)17(13-16-10-7-6-8-11-16)20-19(22)24-14-15(2)3/h6-8,10-11,15,17H,4-5,9,12-14H2,1-3H3,(H,20,22) |
| InChIKey |
HAEGZHHJINGCMB-UHFFFAOYSA-N |
| Molecular Weight |
335.444 g/mol |
| SMILES |
CC(C)COC(NC(C(OCCCCC)=O)CC1=CC=CC=C1)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.851258 |
