| SpectraBase Spectrum ID |
5lPXyseXKmO |
| Name |
1,2-Cyclohexanedicarboxylic acid, 2-ethoxyethyl nonyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
370.271924319 u |
| Formula |
C21H38O5 |
| InChI |
InChI=1S/C21H38O5/c1-3-5-6-7-8-9-12-15-25-20(22)18-13-10-11-14-19(18)21(23)26-17-16-24-4-2/h18-19H,3-17H2,1-2H3 |
| InChIKey |
BTTJSVRNGQSAGU-UHFFFAOYSA-N |
| Molecular Weight |
370.530 g/mol |
| SMILES |
CCCCCCCCCOC(C1C(C(=O)OCCOCC)CCCC1)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.891953 |
