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5-Bromo-5"-(1-hydroxyheptadecyl)-2,2':5',2"-terthiophene
SpectraBase Compound ID C5uksaZIG0W
InChI InChI=1S/C29H41BrOS3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-23(31)24-17-18-25(32-24)26-19-20-27(33-26)28-21-22-29(30)34-28/h17-23,31H,2-16H2,1H3
InChIKey OKSUWYALBYRUQI-UHFFFAOYSA-N
Mol Weight 581.7 g/mol
Molecular Formula C29H41BrOS3
Exact Mass 580.150292 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 53rIiPTfkG
Name 5-Bromo-5"-(1-hydroxyheptadecyl)-2,2':5',2"-terthiophene
Alternate Name(s) 1-{5-[5-(5-bromothiophen-2-yl)thiophen-2-yl]thiophen-2-yl}heptadecan-1-ol
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C29H41BrOS3
InChI InChI=1S/C29H41BrOS3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-23(31)24-17-18-25(32-24)26-19-20-27(33-26)28-21-22-29(30)34-28/h17-23,31H,2-16H2,1H3
InChIKey OKSUWYALBYRUQI-UHFFFAOYSA-N
Molecular Weight 581.730 g/mol
SMILES OC(c1ccc(-c2ccc(-c3ccc(s3)Br)s2)s1)CCCCCCCCCCCCCCCC
SPLASH splash10-014i-0013190000-570e982e83b240abe0f8
Source of Spectrum F-51-2238-21
Wiley ID 791046