| SpectraBase Spectrum ID |
E7kM1ApZr3Q |
| Name |
L-Phenylalanine, N-methyl-N-isopropyloxycarbonyl-, methyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
279.147058156 u |
| Formula |
C15H21NO4 |
| InChI |
InChI=1S/C15H21NO4/c1-11(2)20-15(18)16(3)13(14(17)19-4)10-12-8-6-5-7-9-12/h5-9,11,13H,10H2,1-4H3 |
| InChIKey |
PUYFHCJBTRSCGE-UHFFFAOYSA-N |
| Molecular Weight |
279.336 g/mol |
| SMILES |
C1(=CC=CC=C1)CC(C(OC)=O)N(C)C(OC(C)C)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.898517 |
