| SpectraBase Spectrum ID |
3SjyyqJ7aAB |
| Name |
.beta.-Alanine, N-neopentyloxycarbonyl-, propyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
245.162708221 u |
| Formula |
C12H23NO4 |
| InChI |
InChI=1S/C12H23NO4/c1-5-8-16-10(14)6-7-13-11(15)17-9-12(2,3)4/h5-9H2,1-4H3,(H,13,15) |
| InChIKey |
DAHOHZGNYITWQZ-UHFFFAOYSA-N |
| Molecular Weight |
245.319 g/mol |
| SMILES |
C(OC(NCCC(OCCC)=O)=O)C(C)(C)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.941749 |
