| SpectraBase Spectrum ID |
50fFSqeiZn0 |
| Name |
.beta.-Alanine, N-isobutyryl-, decyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
299.246043924 u |
| Formula |
C17H33NO3 |
| InChI |
InChI=1S/C17H33NO3/c1-4-5-6-7-8-9-10-11-14-21-16(19)12-13-18-17(20)15(2)3/h15H,4-14H2,1-3H3,(H,18,20) |
| InChIKey |
FZRIUIAKXRPAQS-UHFFFAOYSA-N |
| Molecular Weight |
299.455 g/mol |
| SMILES |
CC(C)C(NCCC(OCCCCCCCCCC)=O)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.957577 |
