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5-(Adamantan-1-yl)-5''-bromo-2,2':5',2''-terthiophene
SpectraBase Compound ID 7o6hMshSA0p
InChI InChI=1S/C22H21BrS3/c23-21-6-4-19(26-21)17-2-1-16(24-17)18-3-5-20(25-18)22-10-13-7-14(11-22)9-15(8-13)12-22/h1-6,13-15H,7-12H2/t13-,14+,15-,22-
InChIKey WWKYRIKZKDFCKH-CNNQHEGBSA-N
Mol Weight 461.49 g/mol
Molecular Formula C22H21BrS3
Exact Mass 459.998877 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Dj2CBPAgYqt
Name 5-(Adamantan-1-yl)-5''-bromo-2,2':5',2''-terthiophene
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C22H21BrS3
InChI InChI=1S/C22H21BrS3/c23-21-6-4-19(26-21)17-2-1-16(24-17)18-3-5-20(25-18)22-10-13-7-14(11-22)9-15(8-13)12-22/h1-6,13-15H,7-12H2/t13-,14+,15-,22-
InChIKey WWKYRIKZKDFCKH-CNNQHEGBSA-N
Molecular Weight 461.494 g/mol
SMILES C1[C@]2(CC3(C[C@@]1(C[C@](C3)(C2)[H])[H])c1ccc(s1)-c1sc(cc1)-c1sc(cc1)Br)[H]
SPLASH splash10-08fr-0000900000-0917b95b7f99def8f2fa
Source of Spectrum AJO-4-767-3c
Synonyms 5-((3r,5r,7r)-adamantan-1-yl)-5''-bromo-2,2':5',2''-terthiophene
Wiley ID 1785158