| SpectraBase Spectrum ID |
IiUAQzSS9pP |
| Name |
Succinic acid, 3-hex-4-ynyl 3-methylbutyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
268.167459249 u |
| Formula |
C15H24O4 |
| InChI |
InChI=1S/C15H24O4/c1-5-7-13(6-2)19-15(17)9-8-14(16)18-11-10-12(3)4/h12-13H,6,8-11H2,1-4H3 |
| InChIKey |
YBCVHEPURCLKHL-UHFFFAOYSA-N |
| Molecular Weight |
268.353 g/mol |
| SMILES |
CC#CC(CC)OC(=O)CCC(OCCC(C)C)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.941323 |
