| SpectraBase Spectrum ID |
Igqus74vRK8 |
| Name |
Simonellite |
| CAS Registry Number |
27530-79-6 |
| Comments |
Less than 3 mono-isotopic peaks |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C19H24 |
| InChI |
InChI=1S/C19H24/c1-13(2)14-7-9-16-15(12-14)8-10-18-17(16)6-5-11-19(18,3)4/h7-10,12-13H,5-6,11H2,1-4H3 |
| InChIKey |
XZDCNNOTTUOTGE-UHFFFAOYSA-N |
| Molecular Weight |
252.401 g/mol |
| SMILES |
c12c(C(C)(C)CCC2)ccc2c1ccc(C(C)C)c2 |
| SPLASH |
splash10-000i-0090000000-433b4f5d47769e98d839 |
| Source of Spectrum |
Va-0-0-0 |
| Synonyms |
:simonellite
1,2,3,4-tetrahydro-1,1-dimethyl-7-(1-methylethyl)-phenanthrene
1,1-dimethyl-7-propan-2-yl-3,4-dihydro-2H-phenanthrene
7-isopropyl-1,1-dimethyl-3,4-dihydro-2H-phenanthrene |
| Wiley ID |
738982 |
