| SpectraBase Spectrum ID |
3WRQ6KqQL32 |
| Name |
1,2-Cyclohexanedicarboxylic acid, decyl 2-ethoxyethyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
384.287574383 u |
| Formula |
C22H40O5 |
| InChI |
InChI=1S/C22H40O5/c1-3-5-6-7-8-9-10-13-16-26-21(23)19-14-11-12-15-20(19)22(24)27-18-17-25-4-2/h19-20H,3-18H2,1-2H3 |
| InChIKey |
HCXGDTBLFYGQMQ-UHFFFAOYSA-N |
| Molecular Weight |
384.557 g/mol |
| SMILES |
C(OC(C1CCCCC1C(OCCCCCCCCCC)=O)=O)COCC |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.931398 |
