Benzobicyclon
1912
Reference
Benzobicyclon Structure
Systematic / IUPAC Name: 3-[2-Chloro-4-(methylsulfonyl)benzoyl]-4-(phenylsulfanyl)bicyclo[3.2.1]oct-3-en-2-one
ID: Reference1912
Other Names:
Formula: C22H19ClO4S2
Class: Pesticides/Herbicides
Spectral Data
Benzobicyclon mass spectral data can be found in a separate interface. The data are manually curated and of the highest quality.
Available MS Data
| Used Instruments | Q Exactive Plus Orbitrap |
| No. of Spectral Trees | 1 |
| No. of Spectra | 45 |
| Tandem Spectra | MS1, MS2 |
| Ionization Methods | ESI |
| Analyzers | FT |
| Last Modification | 1/15/2015 2:58:21 PM |
Identificators
| InChI | InChI=1S/C22H19ClO4S2/c1-29(26,27)16-9-10-17(18(23)12-16)21(25)19-20(24)13-7-8-14(11-13)22(19)28-15-5-3-2-4-6-15/h2-6,9-10,12-14H,7-8,11H2,1H3 |
| InChI Key | VIXCLRUCUMWJFF-UHFFFAOYSA-N |
| Canonical SMILES | CS(=O)(=O)C1=CC(=C(C=C1)C(=O)C2=C(C3CCC(C3)C2=O)SC4=CC=CC=C4)Cl |
| CAS | 156963665 |
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| Other Names |