| SpectraBase Spectrum ID |
FSI7ltQT9Gv |
| Name |
L-Phenylalanine, N-neopentyloxycarbonyl-, isobutyl 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/c1-14(2)12-23-17(21)16(11-15-9-7-6-8-10-15)20-18(22)24-13-19(3,4)5/h6-10,14,16H,11-13H2,1-5H3,(H,20,22) |
| InChIKey |
OLBRKDHOYCMTOV-UHFFFAOYSA-N |
| Molecular Weight |
335.444 g/mol |
| SMILES |
CC(COC(NC(C(OCC(C)C)=O)CC1=CC=CC=C1)=O)(C)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.812459 |
