| SpectraBase Spectrum ID |
9ypFVjWDyL5 |
| Name |
Dodecanoic acid, 1,1-dimethylpropyl 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/c1-5-7-8-9-10-11-12-13-14-15-16(18)19-17(3,4)6-2/h5-15H2,1-4H3 |
| InChIKey |
QRKGIHFIEKTDED-UHFFFAOYSA-N |
| Molecular Weight |
270.457 g/mol |
| SMILES |
C(=O)(CCCCCCCCCCC)OC(C)(CC)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.93978 |
