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4-(4-Hexylphenyl)-4H-dithieno[2,3-b:3',2'-e][1,4]thiazine
SpectraBase Compound ID 9z7lzCgnHZl
InChI InChI=1S/C20H21NS3/c1-2-3-4-5-6-15-7-9-16(10-8-15)21-17-11-13-22-19(17)24-20-18(21)12-14-23-20/h7-14H,2-6H2,1H3
InChIKey DOKXAFKEFDRTGO-UHFFFAOYSA-N
Mol Weight 371.58 g/mol
Molecular Formula C20H21NS3
Exact Mass 371.083613 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID IcGElOupySi
Name 4-(4-Hexylphenyl)-4H-dithieno[2,3-b:3',2'-e][1,4]thiazine
Appearance Yellow solid
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Exact Mass 371.083613202 u
Formula C20H21NS3
InChI InChI=1S/C20H21NS3/c1-2-3-4-5-6-15-7-9-16(10-8-15)21-17-11-13-22-19(17)24-20-18(21)12-14-23-20/h7-14H,2-6H2,1H3
InChIKey DOKXAFKEFDRTGO-UHFFFAOYSA-N
Ionization Type EI positive ion
Literature Reference DOI 10.1002/ejoc.202101398
Molecular Weight 371.575 g/mol
SMILES C1=2SC=CC2N(C2=C(S1)SC=C2)C1=CC=C(C=C1)CCCCCC
SPLASH splash10-00di-0029000000-02bd66f349bda346302c
Source of Spectrum K1-2022-SM5-1a (DOI: 10.1002/ejoc.202101398)
Wiley ID 1898614