| SpectraBase Spectrum ID |
KolFWyn6mm8 |
| Name |
2-Methyl-N-(isopropyloxycarbonyl)-N-(4-methylphenyl)alanine, isopropyl 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/c1-12(2)22-16(20)18(6,7)19(17(21)23-13(3)4)15-10-8-14(5)9-11-15/h8-13H,1-7H3 |
| InChIKey |
QGJXVUFLYRKVOL-UHFFFAOYSA-N |
| Molecular Weight |
321.417 g/mol |
| SMILES |
C1(=CC=C(C=C1)C)N(C(C)(C)C(=O)OC(C)C)C(OC(C)C)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.877796 |
