| SpectraBase Spectrum ID |
3ND82mmZnUK |
| Name |
Sebacic acid, 3,3-dimethylbut-2-yl propyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
328.261359635 u |
| Formula |
C19H36O4 |
| InChI |
InChI=1S/C19H36O4/c1-6-15-22-17(20)13-11-9-7-8-10-12-14-18(21)23-16(2)19(3,4)5/h16H,6-15H2,1-5H3 |
| InChIKey |
XZRWLLLDGZRRHP-UHFFFAOYSA-N |
| Molecular Weight |
328.493 g/mol |
| SMILES |
C(CCCCCCCCC(OC(C(C)(C)C)C)=O)(OCCC)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.987673 |
