| SpectraBase Spectrum ID |
Bm4mGZmdbmQ |
| Name |
1,2-Cyclohexanedicarboxylic acid, di(3-pentyl) ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
312.230059506 u |
| Formula |
C18H32O4 |
| InChI |
InChI=1S/C18H32O4/c1-5-13(6-2)21-17(19)15-11-9-10-12-16(15)18(20)22-14(7-3)8-4/h13-16H,5-12H2,1-4H3 |
| InChIKey |
PQRTUPNVZPSXBI-UHFFFAOYSA-N |
| Molecular Weight |
312.450 g/mol |
| SMILES |
CCC(CC)OC(C1C(C(=O)OC(CC)CC)CCCC1)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.914925 |
