| SpectraBase Spectrum ID |
8KlUP9acVR6 |
| Name |
2,7:3,6-Dimethanonaphth[2,3-B]oxiren-8-ol, 3,4,5,6,9,9-hexachloro-1A,2,2A,3,6,6A,7,7A-octahydro-, stereoisomer |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
393.865545696 u |
| Formula |
C12H8Cl6O2 |
| InChI |
InChI=1S/C12H8Cl6O2/c13-8-9(14)11(16)4-2-5(19)1(6-7(2)20-6)3(4)10(8,15)12(11,17)18/h1-7,19H/t1-,2+,3?,4?,5?,6+,7-,10-,11+ |
| InChIKey |
VRHKKHANKOOSAH-NODTUBAESA-N |
| Molecular Weight |
396.912 g/mol |
| SMILES |
C12C([C@@]3(C([C@]2(C(=C3Cl)Cl)Cl)(Cl)Cl)Cl)[C@@]2(C([C@]1([C@@]1([C@]2(O1)[H])[H])[H])O)[H] |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.889059 |
![2,7:3,6-Dimethanonaphth[2,3-b]oxiren-8-ol, 3,4,5,6,9,9-hexachloro-1a,2,2a,3,6,6a,7,7a-octahydro-, stereoisomer](/api/spectrum/8KlUP9acVR6/structure.png?h=300&w=458 "2,7:3,6-Dimethanonaphth[2,3-b]oxiren-8-ol, 3,4,5,6,9,9-hexachloro-1a,2,2a,3,6,6a,7,7a-octahydro-, stereoisomer")
