| SpectraBase Spectrum ID |
7UDET72bmXe |
| Name |
Octahydroxanthen-1,9-dione, 3,3,7,7,-tetramethyl-10-propyl- |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
316.203844759 u |
| Formula |
C20H28O3 |
| InChI |
InChI=1S/C20H28O3/c1-6-7-12-17-13(21)8-19(2,3)10-15(17)23-16-11-20(4,5)9-14(22)18(12)16/h12H,6-11H2,1-5H3 |
| InChIKey |
WZHFRQDUQATTJI-UHFFFAOYSA-N |
| Molecular Weight |
316.441 g/mol |
| SMILES |
C1(CC(C2=C(C1)OC1=C(C2CCC)C(CC(C1)(C)C)=O)=O)(C)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.921239 |
