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6,6'-Di-n-Hexyloxythioindigo
SpectraBase Compound ID JRwoxFf6foG
InChI InChI=1S/C28H32O4S2/c1-3-5-7-9-15-31-19-11-13-21-23(17-19)33-27(25(21)29)28-26(30)22-14-12-20(18-24(22)34-28)32-16-10-8-6-4-2/h11-14,17-18H,3-10,15-16H2,1-2H3/b28-27+
InChIKey YAFOPYWKVYKYBA-BYYHNAKLSA-N
Mol Weight 496.7 g/mol
Molecular Formula C28H32O4S2
Exact Mass 496.174202 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID EHJfFxojUSD
Name 6,6'-Di-n-Hexyloxythioindigo
Alternate Name(s) (2E)-6-hexoxy-2-(6-hexoxy-3-oxo-1-benzothiophen-2-ylidene)-1-benzothiophen-3-one (2E)-6-hexoxy-2-(6-hexoxy-3-oxo-benzothiophen-2-ylidene)benzothiophen-3-one (2E)-6-hexoxy-2-(6-hexoxy-3-oxidanylidene-1-benzothiophen-2-ylidene)-1-benzothiophen-3-one
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Formula C28H32O4S2
InChI InChI=1S/C28H32O4S2/c1-3-5-7-9-15-31-19-11-13-21-23(17-19)33-27(25(21)29)28-26(30)22-14-12-20(18-24(22)34-28)32-16-10-8-6-4-2/h11-14,17-18H,3-10,15-16H2,1-2H3/b28-27+
InChIKey YAFOPYWKVYKYBA-BYYHNAKLSA-N
Molecular Weight 496.680 g/mol
SMILES c12S\C(=C\3Sc4cc(OCCCCCC)ccc4C3=O)C(c1ccc(c2)OCCCCCC)=O
SPLASH splash10-0002-0001900000-8425a021fb03d3405354
Source of Spectrum AT-35-7552-1
Wiley ID 852996