| SpectraBase Spectrum ID |
CUu2tMW79Gz |
| Name |
1,2-Cyclohexanedicarboxylic acid, isobutyl isopropyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
270.183109313 u |
| Formula |
C15H26O4 |
| InChI |
InChI=1S/C15H26O4/c1-10(2)9-18-14(16)12-7-5-6-8-13(12)15(17)19-11(3)4/h10-13H,5-9H2,1-4H3 |
| InChIKey |
JLXUJVDYOFHHMU-UHFFFAOYSA-N |
| Molecular Weight |
270.369 g/mol |
| SMILES |
C(C1CCCCC1C(OCC(C)C)=O)(=O)OC(C)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.952709 |
