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(4E,8E,12E)-16-bromanyl-4,9,13,17-tetramethyl-17-oxidanyl-octadeca-4,8,12-trienal
SpectraBase Compound ID 3BoWMTGsfkt
InChI InChI=1S/C22H37BrO2/c1-18(10-6-7-11-19(2)14-9-17-24)12-8-13-20(3)15-16-21(23)22(4,5)25/h10-11,13,17,21,25H,6-9,12,14-16H2,1-5H3/b18-10+,19-11+,20-13+
InChIKey DXZPODQOZZNXII-HSSJTWDBSA-N
Mol Weight 413.4 g/mol
Molecular Formula C22H37BrO2
Exact Mass 412.197693 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 14j0wEnnUsl
Name (4E,8E,12E)-16-bromanyl-4,9,13,17-tetramethyl-17-oxidanyl-octadeca-4,8,12-trienal
Alternate Name(s) (4E,8E,12E)-16-bromo-17-hydroxy-4,9,13,17-tetramethyl-octadeca-4,8,12-trienal
CAS Registry Number 118198-26-8
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C22H37BrO2
InChI InChI=1S/C22H37BrO2/c1-18(10-6-7-11-19(2)14-9-17-24)12-8-13-20(3)15-16-21(23)22(4,5)25/h10-11,13,17,21,25H,6-9,12,14-16H2,1-5H3/b18-10+,19-11+,20-13+
InChIKey DXZPODQOZZNXII-HSSJTWDBSA-N
Molecular Weight 413.440 g/mol
SMILES OC(C(CC\C(=C\CC\C(=C\CC\C=C\(CCC=O)C)C)C)Br)(C)C
SPLASH splash10-000x-9100000000-34ecb9b4ffa70e0f4b9c
Source of Spectrum KC-1988-466-15
Wiley ID 1374429