| SpectraBase Spectrum ID |
30UTkw0Qftf |
| Name |
(1R*,4S*,7R*)-1,2,4,7,7-Pentachloro-3-methoxy-5-(4-bromophenyl)bicyclo[2.2.1]hept-2-ene |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
447.835766441 u |
| Formula |
C14H10BrCl5O |
| InChI |
InChI=1S/C14H10BrCl5O/c1-21-11-10(16)12(17)6-9(13(11,18)14(12,19)20)7-2-4-8(15)5-3-7/h2-5,9H,6H2,1H3/t9?,12-,13+/m1/s1 |
| InChIKey |
LIXIMXVQRNAGBV-MDGPAFOCSA-N |
| Molecular Weight |
451.402 g/mol |
| SMILES |
[C@@]12(C([C@@](Cl)(CC2C=2C=CC(=CC2)Br)C(=C1OC)Cl)(Cl)Cl)Cl |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.845125 |
![(1R*,4S*,7R*)-1,2,4,7,7-Pentachloro-3-methoxy-5-(4-bromophenyl)bicyclo[2.2.1]hept-2-ene](/api/spectrum/30UTkw0Qftf/structure.png?h=300&w=458 "(1R*,4S*,7R*)-1,2,4,7,7-Pentachloro-3-methoxy-5-(4-bromophenyl)bicyclo[2.2.1]hept-2-ene")
