| SpectraBase Spectrum ID |
6hTkl2zDkdZ |
| Name |
Sebacic acid, hex-4-yn-3-yl propyl 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/c1-4-13-17(6-3)23-19(21)15-12-10-8-7-9-11-14-18(20)22-16-5-2/h17H,5-12,14-16H2,1-3H3 |
| InChIKey |
RBBOWRZYKXNPIH-UHFFFAOYSA-N |
| Molecular Weight |
324.461 g/mol |
| SMILES |
C(CCCC(OC(CC)C#CC)=O)CCCCC(OCCC)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.968921 |
