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6,6'-Di-n-Decyloxythioindigo

View entire compound with spectra: 1 MS (GC)

6,6'-Di-n-Decyloxythioindigo
SpectraBase Compound ID ETa21vn0CAZ
InChI InChI=1S/C36H48O4S2/c1-3-5-7-9-11-13-15-17-23-39-27-19-21-29-31(25-27)41-35(33(29)37)36-34(38)30-22-20-28(26-32(30)42-36)40-24-18-16-14-12-10-8-6-4-2/h19-22,25-26H,3-18,23-24H2,1-2H3/b36-35+
InChIKey UGPLZUCYRAHWMP-ULDVOPSXSA-N
Mol Weight 608.9 g/mol
Molecular Formula C36H48O4S2
Exact Mass 608.299402 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID IptsHtfINbr
Name 6,6'-Di-n-Decyloxythioindigo
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C36H48O4S2
InChI InChI=1S/C36H48O4S2/c1-3-5-7-9-11-13-15-17-23-39-27-19-21-29-31(25-27)41-35(33(29)37)36-34(38)30-22-20-28(26-32(30)42-36)40-24-18-16-14-12-10-8-6-4-2/h19-22,25-26H,3-18,23-24H2,1-2H3/b36-35+
InChIKey UGPLZUCYRAHWMP-ULDVOPSXSA-N
Molecular Weight 608.896 g/mol
SMILES c12S\C(=C\3Sc4cc(OCCCCCCCCCC)ccc4C3=O)C(c1ccc(c2)OCCCCCCCCCC)=O
SPLASH splash10-0a4i-0002009000-bd55a34687c44a0ae5cb
Source of Spectrum AT-35-7552-1
Wiley ID 852994