| SpectraBase Spectrum ID |
7Ob9j3TiS1x |
| Name |
Hexanoic acid, 3,5,5-trimethyl-, pentadec-2-yl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
368.365430784 u |
| Formula |
C24H48O2 |
| InChI |
InChI=1S/C24H48O2/c1-7-8-9-10-11-12-13-14-15-16-17-18-22(3)26-23(25)19-21(2)20-24(4,5)6/h21-22H,7-20H2,1-6H3 |
| InChIKey |
QWXUBDGYOJQHIO-UHFFFAOYSA-N |
| Molecular Weight |
368.646 g/mol |
| SMILES |
C(CC(OC(CCCCCCCCCCCCC)C)=O)(CC(C)(C)C)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.944024 |
