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2,5-Bis(10-hexyldibenzothiazine-3-yl)thiophene
SpectraBase Compound ID BNNrDvZHvJZ
InChI InChI=1S/C40H42N2S3/c1-3-5-7-13-25-41-31-15-9-11-17-37(31)44-39-27-29(19-21-33(39)41)35-23-24-36(43-35)30-20-22-34-40(28-30)45-38-18-12-10-16-32(38)42(34)26-14-8-6-4-2/h9-12,15-24,27-28H,3-8,13-14,25-26H2,1-2H3
InChIKey BOOWOIXDUQTVGF-UHFFFAOYSA-N
Mol Weight 647.0 g/mol
Molecular Formula C40H42N2S3
Exact Mass 646.251013 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2xISRGtaSVV
Name 2,5-Bis(10-hexyldibenzothiazine-3-yl)thiophene
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C40H42N2S3
InChI InChI=1S/C40H42N2S3/c1-3-5-7-13-25-41-31-15-9-11-17-37(31)44-39-27-29(19-21-33(39)41)35-23-24-36(43-35)30-20-22-34-40(28-30)45-38-18-12-10-16-32(38)42(34)26-14-8-6-4-2/h9-12,15-24,27-28H,3-8,13-14,25-26H2,1-2H3
InChIKey BOOWOIXDUQTVGF-UHFFFAOYSA-N
Molecular Weight 646.970 g/mol
SMILES c12N(c3c(Sc2cc(-c2sc(-c4cc5Sc6ccccc6N(c5cc4)CCCCCC)cc2)cc1)cccc3)CCCCCC
SPLASH splash10-0002-0000119000-bf1362a62e22771f600d
Source of Spectrum AT-42-8623-11
Synonyms 10-hexyl-3-[5-(10-hexyl-10H-phenothiazin-3-yl)-2-thienyl]-10H-phenothiazine
Wiley ID 855344