| SpectraBase Spectrum ID |
L5KiJEhE24r |
| Name |
D-Alanine, N-(5-chlorovaleryl)-, octyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
319.191421527 u |
| Formula |
C16H30ClNO3 |
| InChI |
InChI=1S/C16H30ClNO3/c1-3-4-5-6-7-10-13-21-16(20)14(2)18-15(19)11-8-9-12-17/h14H,3-13H2,1-2H3,(H,18,19) |
| InChIKey |
LIOUYMBQEQGVFT-UHFFFAOYSA-N |
| Molecular Weight |
319.873 g/mol |
| SMILES |
CC(NC(=O)CCCCCl)C(OCCCCCCCC)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.860169 |
