| SpectraBase Spectrum ID |
EnKQC2EgG5O |
| Name |
.beta.-Alanine, N-isobutyryl-, hexyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
243.183443666 u |
| Formula |
C13H25NO3 |
| InChI |
InChI=1S/C13H25NO3/c1-4-5-6-7-10-17-12(15)8-9-14-13(16)11(2)3/h11H,4-10H2,1-3H3,(H,14,16) |
| InChIKey |
RNHGEORTQJOUKK-UHFFFAOYSA-N |
| Molecular Weight |
243.347 g/mol |
| SMILES |
CC(C)C(NCCC(OCCCCCC)=O)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.880182 |
