| SpectraBase Spectrum ID |
7lIzHQSWSeZ |
| Name |
2-Cyclohexene-1-carboxylic acid, 1,2-bis(2-ethyl-1-oxobutoxy)-, ethyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
382.235538809 u |
| Formula |
C21H34O6 |
| InChI |
InChI=1S/C21H34O6/c1-6-15(7-2)18(22)26-17-13-11-12-14-21(17,20(24)25-10-5)27-19(23)16(8-3)9-4/h13,15-16H,6-12,14H2,1-5H3 |
| InChIKey |
LFDDUBKXUNMYME-UHFFFAOYSA-N |
| Molecular Weight |
382.497 g/mol |
| SMILES |
C=1(C(CCCC1)(C(OCC)=O)OC(=O)C(CC)CC)OC(=O)C(CC)CC |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.89325 |
