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2,9-Dibutyl-3,8-dichloronaphtho[1,2-b:8,7-b']dithiophene
SpectraBase Compound ID 3EAUapF9ay7
InChI InChI=1S/C22H22Cl2S2/c1-3-5-7-16-19(23)14-11-9-13-10-12-15-20(24)17(8-6-4-2)26-22(15)18(13)21(14)25-16/h9-12H,3-8H2,1-2H3
InChIKey HHFFDGIETNONPC-UHFFFAOYSA-N
Mol Weight 421.44 g/mol
Molecular Formula C22H22Cl2S2
Exact Mass 420.053998 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 9kJZ9WE1z4c
Name 2,9-Dibutyl-3,8-dichloronaphtho[1,2-b:8,7-b']dithiophene
Appearance White solid
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 420.053998456 u
Formula C22H22Cl2S2
InChI InChI=1S/C22H22Cl2S2/c1-3-5-7-16-19(23)14-11-9-13-10-12-15-20(24)17(8-6-4-2)26-22(15)18(13)21(14)25-16/h9-12H,3-8H2,1-2H3
InChIKey HHFFDGIETNONPC-UHFFFAOYSA-N
Ionization Type EI
Literature Reference DOI 10.1021/jo400205j
Molecular Weight 421.444 g/mol
SMILES C12=C(C3=C(C=C2)C=CC2=C3SC(=C2Cl)CCCC)SC(=C1Cl)CCCC
SPLASH splash10-00fr-0009800000-1d57fd95b16cdbc7c201
Source of Spectrum JOC-78-3500-12 (DOI: 10.1021/jo400205j)
Wiley ID 1912503