| SpectraBase Spectrum ID |
FS5N58j0dmq |
| Name |
Dodecanoic acid, 3-methylbut-2-yl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
270.255880333 u |
| Formula |
C17H34O2 |
| InChI |
InChI=1S/C17H34O2/c1-5-6-7-8-9-10-11-12-13-14-17(18)19-16(4)15(2)3/h15-16H,5-14H2,1-4H3 |
| InChIKey |
BPATUEDDMFPLJI-UHFFFAOYSA-N |
| Molecular Weight |
270.457 g/mol |
| SMILES |
CCCCCCCCCCCC(=O)OC(C(C)C)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.94204 |
