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2,7-Dibutyl-1,6-dichloronaphtho[1,2-b;5,6-b']dithiophene
SpectraBase Compound ID 6tlTAGM8Tn8
InChI InChI=1S/C22H22Cl2S2/c1-3-5-7-17-19(23)15-11-9-14-13(21(15)25-17)10-12-16-20(24)18(8-6-4-2)26-22(14)16/h9-12H,3-8H2,1-2H3
InChIKey KXNVJEHGGMDFFN-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 89ZK6gOsfwI
Name 2,7-Dibutyl-1,6-dichloronaphtho[1,2-b;5,6-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/c1-3-5-7-17-19(23)15-11-9-14-13(21(15)25-17)10-12-16-20(24)18(8-6-4-2)26-22(14)16/h9-12H,3-8H2,1-2H3
InChIKey KXNVJEHGGMDFFN-UHFFFAOYSA-N
Ionization Type EI
Literature Reference DOI 10.1021/jo400205j
Molecular Weight 421.444 g/mol
SMILES C1=CC2=C(C3=C1C(=C(S3)CCCC)Cl)C=CC1=C2SC(=C1Cl)CCCC
SPLASH splash10-00fr-0009800000-1d57fd95b16cdbc7c201
Source of Spectrum JOC-78-3500-14 (DOI: 10.1021/jo400205j)
Wiley ID 1912505