SpectraBase Compound ID | Dj9NoiV8mUP |
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InChI | InChI=1S/C10H15BrCl2/c1-8(2)10(11)4-3-9(7-13)5-6-12/h5,10H,1,3-4,6-7H2,2H3/b9-5- |
InChIKey | ZFONOJWQZANXOP-UITAMQMPSA-N |
Mol Weight | 286.04 g/mol |
Molecular Formula | C10H15BrCl2 |
Exact Mass | 283.973419 g/mol |
SpectraBase Spectrum ID | EJaCJj9qPok |
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Name | (Z)-3-Bromo-8-chloro-6-chloromethyl-2-methylocta-1,6-diene |
Comments | Computed using SmartSpectra Model v1.42 |
Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass | 283.973418883 u |
Formula | C10H15BrCl2 |
InChI | InChI=1S/C10H15BrCl2/c1-8(2)10(11)4-3-9(7-13)5-6-12/h5,10H,1,3-4,6-7H2,2H3/b9-5- |
InChIKey | ZFONOJWQZANXOP-UITAMQMPSA-N |
SMILES | C(Br)(C(=C)C)CC\C(=C\CCl)CCl |
Spectrum/Structure Validation Score (Vapor Phase IR) | 0.867057 |