| SpectraBase Spectrum ID |
2FZDxD8l1vb |
| Name |
2,2,3,3-Tetramethylcyclopropanecarboxylic acid, 1-butylhexyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
282.255880333 u |
| Formula |
C18H34O2 |
| InChI |
InChI=1S/C18H34O2/c1-7-9-11-13-14(12-10-8-2)20-16(19)15-17(3,4)18(15,5)6/h14-15H,7-13H2,1-6H3 |
| InChIKey |
XWOOVKWKNRZJGL-UHFFFAOYSA-N |
| Molecular Weight |
282.468 g/mol |
| SMILES |
C1(C(C)(C)C1(C)C)C(OC(CCCCC)CCCC)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.848248 |
