| SpectraBase Spectrum ID |
B717nRv1Gi3 |
| Name |
1,4-Epoxynaphthalene, 6,7-dibromo-2,3-bis(chloromethyl)-1,2,3,4-tetrahydro-, (1.alpha.,2.beta.,3.beta.,4.alpha.)- |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
397.847546341 u |
| Formula |
C12H10Br2Cl2O |
| InChI |
InChI=1S/C12H10Br2Cl2O/c13-9-1-5-6(2-10(9)14)12-8(4-16)7(3-15)11(5)17-12/h1-2,7-8,11-12H,3-4H2/t7-,8+,11-,12+ |
| InChIKey |
VVPDBAIQTUNEKN-ZTCHHREXSA-N |
| Molecular Weight |
400.925 g/mol |
| SMILES |
[C@]12(C3=C(C=C(C(=C3)Br)Br)[C@](O1)([H])[C@@]([C@@]2(CCl)[H])(CCl)[H])[H] |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.806312 |
