SpectraBase Spectrum ID |
77Edswb7Mfs |
Name |
1,2-Cyclohexanedicarboxylic acid, cyclobutyl heptyl 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/c1-2-3-4-5-8-14-22-18(20)16-12-6-7-13-17(16)19(21)23-15-10-9-11-15/h15-17H,2-14H2,1H3 |
InChIKey |
LENZWEPFXDUECM-UHFFFAOYSA-N |
Molecular Weight |
324.461 g/mol |
SMILES |
C1(CCC1)OC(C1CCCCC1C(OCCCCCCC)=O)=O |
Spectrum/Structure Validation Score (Vapor Phase IR) |
0.809609 |