| SpectraBase Spectrum ID |
IQ2BHOPPW0B |
| Name |
2,2,4-Trimethyl-7-(2,4,4-trimethylpentan-2-yl)-3,4-dihydro-2H-chromene-5,6-dione |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
318.219494823 u |
| Formula |
C20H30O3 |
| InChI |
InChI=1S/C20H30O3/c1-12-10-20(7,8)23-14-9-13(16(21)17(22)15(12)14)19(5,6)11-18(2,3)4/h9,12H,10-11H2,1-8H3 |
| InChIKey |
DOLQWHPZSHYWHU-UHFFFAOYSA-N |
| Molecular Weight |
318.457 g/mol |
| SMILES |
CC1CC(C)(C)OC2=C1C(=O)C(=O)C(=C2)C(C)(C)CC(C)(C)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.94844 |
