| SpectraBase Spectrum ID |
HJWIQXli07W |
| Name |
1-Cyclopentene-1-carboxylic acid, 2,4,4-tris(3-methylbutyl)-3,5-dioxo-, methyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
364.261359635 u |
| Formula |
C22H36O4 |
| InChI |
InChI=1S/C22H36O4/c1-14(2)8-9-17-18(21(25)26-7)20(24)22(19(17)23,12-10-15(3)4)13-11-16(5)6/h14-16H,8-13H2,1-7H3 |
| InChIKey |
TYXHGSUTDKIURI-UHFFFAOYSA-N |
| Molecular Weight |
364.526 g/mol |
| SMILES |
C1(=C(C(=O)C(C1=O)(CCC(C)C)CCC(C)C)CCC(C)C)C(=O)OC |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.878543 |
