| SpectraBase Spectrum ID |
9W6IW24Sdd5 |
| Name |
1,2-Cyclohexanedicarboxylic acid, 2-cyclohexylethyl propyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
324.230059506 u |
| Formula |
C19H32O4 |
| InChI |
InChI=1S/C19H32O4/c1-2-13-22-18(20)16-10-6-7-11-17(16)19(21)23-14-12-15-8-4-3-5-9-15/h15-17H,2-14H2,1H3 |
| InChIKey |
NIDOISHTNFWTJA-UHFFFAOYSA-N |
| Molecular Weight |
324.461 g/mol |
| SMILES |
C(OC(C1CCCCC1C(=O)OCCC)=O)CC1CCCCC1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.958995 |
