| SpectraBase Spectrum ID |
ADzC94ZdnEb |
| Name |
Alanine, N-methyl-N-neopentyloxycarbonyl-, isobutyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
273.194008349 u |
| Formula |
C14H27NO4 |
| InChI |
InChI=1S/C14H27NO4/c1-10(2)8-18-12(16)11(3)15(7)13(17)19-9-14(4,5)6/h10-11H,8-9H2,1-7H3 |
| InChIKey |
PUHSXQVVBRMTGR-UHFFFAOYSA-N |
| SMILES |
CC(COC(=O)N(C(C)C(OCC(C)C)=O)C)(C)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.88044 |
