| SpectraBase Spectrum ID |
AjGlxJM43iR |
| Name |
2,7-Dichloro-5,12-dimethyl-6-methylene-10-(phenylsulphonyl)tetracyclo[6.3.1.0(2,4].0(5,12)]dodeca-7,9,11-triene |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
404.040456392 u |
| Formula |
C21H18Cl2O2S |
| InChI |
InChI=1S/C21H18Cl2O2S/c1-12-18(22)15-9-14(26(24,25)13-7-5-4-6-8-13)10-16-20(15,3)19(12,2)17-11-21(16,17)23/h4-10,17H,1,11H2,2-3H3 |
| InChIKey |
QMNWTZRRDAIZAU-UHFFFAOYSA-N |
| Molecular Weight |
405.339 g/mol |
| SMILES |
C12(C=3C4(C(=C(C(C4(C2C1)C)=C)Cl)C=C(C3)S(=O)(=O)C=1C=CC=CC1)C)Cl |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.860887 |
![2,7-Dichloro-5,12-dimethyl-6-methylene-10-(phenylsulphonyl)tetracyclo[6.3.1.0(2,4].0(5,12)]dodeca-7,9,11-triene](/api/spectrum/AjGlxJM43iR/structure.png?h=300&w=458 "2,7-Dichloro-5,12-dimethyl-6-methylene-10-(phenylsulphonyl)tetracyclo[6.3.1.0(2,4].0(5,12)]dodeca-7,9,11-triene")
