| SpectraBase Spectrum ID |
IpojHm03GBy |
| Name |
.beta.-Alanine, N-neopentyloxycarbonyl-, isohexyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
287.209658414 u |
| Formula |
C15H29NO4 |
| InChI |
InChI=1S/C15H29NO4/c1-12(2)7-6-10-19-13(17)8-9-16-14(18)20-11-15(3,4)5/h12H,6-11H2,1-5H3,(H,16,18) |
| InChIKey |
DKNNEGIADBQJLJ-UHFFFAOYSA-N |
| SMILES |
CC(COC(NCCC(OCCCC(C)C)=O)=O)(C)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.894228 |
