| SpectraBase Spectrum ID |
2S4ppqkzU24 |
| Name |
1,2-Cyclohexanedicarboxylic acid, dicyclobutyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
280.167459249 u |
| Formula |
C16H24O4 |
| InChI |
InChI=1S/C16H24O4/c17-15(19-11-5-3-6-11)13-9-1-2-10-14(13)16(18)20-12-7-4-8-12/h11-14H,1-10H2 |
| InChIKey |
XBPOBMVRHJGQKA-UHFFFAOYSA-N |
| SMILES |
C(C1CCCCC1C(=O)OC1CCC1)(=O)OC1CCC1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.956182 |
