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Plocoralide-B;4,6-dibromo-1,1-dichloro-3,7-dimethyl-2E,7-octadiene

View entire compound with spectra: 1 NMR, 1 FTIR, and 1 MS (GC)

Plocoralide-B;4,6-dibromo-1,1-dichloro-3,7-dimethyl-2E,7-octadiene
SpectraBase Compound ID L6sLnDKwQgA
InChI InChI=1S/C10H14Br2Cl2/c1-6(2)8(11)5-9(12)7(3)4-10(13)14/h4,8-10H,1,5H2,2-3H3/b7-4+
InChIKey KQHIOMQBBGDCNC-QPJJXVBHSA-N
Mol Weight 364.94 g/mol
Molecular Formula C10H14Br2Cl2
Exact Mass 361.883932 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 834vm5rJBmp
Name Plocoralide-B;4,6-dibromo-1,1-dichloro-3,7-dimethyl-2E,7-octadiene
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 361.883931851 u
Formula C10H14Br2Cl2
InChI InChI=1S/C10H14Br2Cl2/c1-6(2)8(11)5-9(12)7(3)4-10(13)14/h4,8-10H,1,5H2,2-3H3/b7-4+
InChIKey KQHIOMQBBGDCNC-QPJJXVBHSA-N
Molecular Weight 364.936 g/mol
SMILES C(Cl)(Cl)\C=C\(C(Br)CC(Br)C(=C)C)C
Spectrum/Structure Validation Score (Vapor Phase IR) 0.881933