| SpectraBase Spectrum ID |
C4R6pEcssR8 |
| Name |
Octanoic acid, 8-(acetylamino)-, methyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
215.152143537 u |
| Formula |
C11H21NO3 |
| InChI |
InChI=1S/C11H21NO3/c1-10(13)12-9-7-5-3-4-6-8-11(14)15-2/h3-9H2,1-2H3,(H,12,13) |
| InChIKey |
LDYSWXJFUJKJEI-UHFFFAOYSA-N |
| Molecular Weight |
215.293 g/mol |
| SMILES |
C(=O)(NCCCCCCCC(=O)OC)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.958093 |
