| SpectraBase Spectrum ID |
9z3fHYWVQcA |
| Name |
N-Benzyl-N-isopropyloxycarbonyl-2-methyl-.beta.-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/c1-13(2)22-17(20)15(5)11-19(18(21)23-14(3)4)12-16-9-7-6-8-10-16/h6-10,13-15H,11-12H2,1-5H3 |
| InChIKey |
RTFLDBKNLRGWTH-UHFFFAOYSA-N |
| Molecular Weight |
321.417 g/mol |
| SMILES |
C1=CC=C(C=C1)CN(CC(C(OC(C)C)=O)C)C(OC(C)C)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.93173 |
