| SpectraBase Spectrum ID |
2uzhFuv3Oyl |
| Name |
Hexanedioic acid, 2,3,4,5-tetrahexyl-, dimethyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
510.464810472 u |
| Formula |
C32H62O4 |
| InChI |
InChI=1S/C32H62O4/c1-7-11-15-19-23-27(29(31(33)35-5)25-21-17-13-9-3)28(24-20-16-12-8-2)30(32(34)36-6)26-22-18-14-10-4/h27-30H,7-26H2,1-6H3 |
| InChIKey |
RPKROECDJBPCHO-UHFFFAOYSA-N |
| Molecular Weight |
510.844 g/mol |
| SMILES |
COC(C(CCCCCC)C(C(C(C(OC)=O)CCCCCC)CCCCCC)CCCCCC)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.841556 |
