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(6E,10E,14E,18E)-3,22-Dibromo-2,6,10,15,19-pentamethyldocosa-6,10,14,18-tetraen-2-ol

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(6E,10E,14E,18E)-3,22-Dibromo-2,6,10,15,19-pentamethyldocosa-6,10,14,18-tetraen-2-ol
SpectraBase Compound ID F7g1WTCV41B
InChI InChI=1S/C27H46Br2O/c1-22(14-9-16-24(3)18-11-21-28)12-7-8-13-23(2)15-10-17-25(4)19-20-26(29)27(5,6)30/h12-13,16-17,26,30H,7-11,14-15,18-21H2,1-6H3/b22-12+,23-13+,24-16+,25-17+
InChIKey PMJCQCKKHZCRHH-KFLDBCSLSA-N
Mol Weight 546.5 g/mol
Molecular Formula C27H46Br2O
Exact Mass 544.191542 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID FlWefJl9a0o
Name (6E,10E,14E,18E)-3,22-Dibromo-2,6,10,15,19-pentamethyldocosa-6,10,14,18-tetraen-2-ol
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 544.191542100 u
Formula C27H46Br2O
InChI InChI=1S/C27H46Br2O/c1-22(14-9-16-24(3)18-11-21-28)12-7-8-13-23(2)15-10-17-25(4)19-20-26(29)27(5,6)30/h12-13,16-17,26,30H,7-11,14-15,18-21H2,1-6H3/b22-12+,23-13+,24-16+,25-17+
InChIKey PMJCQCKKHZCRHH-KFLDBCSLSA-N
Molecular Weight 546.472 g/mol
SMILES C(C(CC\C(=C\CC\C(=C\CC\C=C\(CC\C=C\(CCCBr)C)C)C)C)Br)(O)(C)C
Spectrum/Structure Validation Score (Vapor Phase IR) 0.96175