| SpectraBase Spectrum ID |
9ZEWOmeiRDz |
| Name |
D-Alanine, N-(5-chlorovaleryl)-, isohexyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
291.160121398 u |
| Formula |
C14H26ClNO3 |
| InChI |
InChI=1S/C14H26ClNO3/c1-11(2)7-6-10-19-14(18)12(3)16-13(17)8-4-5-9-15/h11-12H,4-10H2,1-3H3,(H,16,17) |
| InChIKey |
GNZLWQRTBQAPBZ-UHFFFAOYSA-N |
| SMILES |
CC(NC(=O)CCCCCl)C(OCCCC(C)C)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.809277 |
