| SpectraBase Spectrum ID |
9wYZa1o4fTZ |
| Name |
Adipic acid, isobutyl 2-methyloct-5-yn-4-yl 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/c1-6-7-10-17(13-15(2)3)23-19(21)12-9-8-11-18(20)22-14-16(4)5/h15-17H,6,8-9,11-14H2,1-5H3 |
| InChIKey |
OUGKRSJQAJTIHM-UHFFFAOYSA-N |
| Molecular Weight |
324.461 g/mol |
| SMILES |
CC(C)COC(CCCCC(=O)OC(C#CCC)CC(C)C)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.861155 |
