| SpectraBase Spectrum ID |
JWmzBNYJ7o3 |
| Name |
1,2-Cyclohexanedicarboxylic acid, hexadecyl methyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
410.339609957 u |
| Formula |
C25H46O4 |
| InChI |
InChI=1S/C25H46O4/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-18-21-29-25(27)23-20-17-16-19-22(23)24(26)28-2/h22-23H,3-21H2,1-2H3 |
| InChIKey |
INIZGHVNWBSUAS-UHFFFAOYSA-N |
| Molecular Weight |
410.639 g/mol |
| SMILES |
C1(CCCCC1C(OCCCCCCCCCCCCCCCC)=O)C(=O)OC |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.957572 |
