| SpectraBase Spectrum ID |
iAP4ieMqUb |
| Name |
6',7'-Epoxy-3',7'-dimethyloctyl 2-cyclohexyl-2-oxoacetate |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
310.214409442 u |
| Formula |
C18H30O4 |
| InChI |
InChI=1S/C18H30O4/c1-13(9-10-15-18(2,3)22-15)11-12-21-17(20)16(19)14-7-5-4-6-8-14/h13-15H,4-12H2,1-3H3 |
| InChIKey |
WBNYKRGMBZYQBL-UHFFFAOYSA-N |
| SMILES |
C1(OC1CCC(CCOC(C(=O)C1CCCCC1)=O)C)(C)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.974309 |
