| SpectraBase Spectrum ID |
7q5AqQ5Q07S |
| Name |
7-(Dichloromethylene)-8a-methyl-3-(trichloromethyl)octahydro-1H-isochromen-1-one |
| Appearance |
Colorless solid |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C12H13Cl5O2 |
| InChI |
InChI=1S/C12H13Cl5O2/c1-11-5-6(9(13)14)2-3-7(11)4-8(12(15,16)17)19-10(11)18/h7-8H,2-5H2,1H3/t7-,8+,11+/m0/s1 |
| InChIKey |
IZDNANAMEOMBPK-VAOFZXAKSA-N |
| Instrument Name |
HP 6890-5973 MSD |
| Ionization Type |
EI |
| Literature Reference DOI |
10.1021/acs.jnatprod.9b01013 |
| Molecular Weight |
366.499 g/mol |
| SMILES |
C1(O[C@](C[C@]2([C@]1(CC(CC2)=C(Cl)Cl)C)[H])(C(Cl)(Cl)Cl)[H])=O |
| SPLASH |
splash10-004i-3933000000-d6939fabcd5d795d7e59 |
| Source of Spectrum |
G4-83-SM3-8 |
| Wiley ID |
1874668 |
