| SpectraBase Spectrum ID |
AJK20BXYV2A |
| Name |
4-Cyclopentene-1,3-dione, 2,2,4-tris(3-methylbutyl)-5-(2-methyl-1-oxopropyl)- |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
376.297745145 u |
| Formula |
C24H40O3 |
| InChI |
InChI=1S/C24H40O3/c1-15(2)9-10-19-20(21(25)18(7)8)23(27)24(22(19)26,13-11-16(3)4)14-12-17(5)6/h15-18H,9-14H2,1-8H3 |
| InChIKey |
DVHYEYHVAXWBNH-UHFFFAOYSA-N |
| Molecular Weight |
376.581 g/mol |
| SMILES |
C1(=C(C(=O)C(C1=O)(CCC(C)C)CCC(C)C)CCC(C)C)C(=O)C(C)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.963545 |
