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6,6'-Di-n-Dodecyloxythioindigo
SpectraBase Compound ID 9itZi9YlJqr
InChI InChI=1S/C40H56O4S2/c1-3-5-7-9-11-13-15-17-19-21-27-43-31-23-25-33-35(29-31)45-39(37(33)41)40-38(42)34-26-24-32(30-36(34)46-40)44-28-22-20-18-16-14-12-10-8-6-4-2/h23-26,29-30H,3-22,27-28H2,1-2H3/b40-39+
InChIKey AANWRQSEJKOGLS-XQQUEIPISA-N
Mol Weight 665.0 g/mol
Molecular Formula C40H56O4S2
Exact Mass 664.362003 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID BZO0Ln4JoFR
Name 6,6'-Di-n-Dodecyloxythioindigo
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C40H56O4S2
InChI InChI=1S/C40H56O4S2/c1-3-5-7-9-11-13-15-17-19-21-27-43-31-23-25-33-35(29-31)45-39(37(33)41)40-38(42)34-26-24-32(30-36(34)46-40)44-28-22-20-18-16-14-12-10-8-6-4-2/h23-26,29-30H,3-22,27-28H2,1-2H3/b40-39+
InChIKey AANWRQSEJKOGLS-XQQUEIPISA-N
Molecular Weight 665.004 g/mol
SMILES c12S\C(=C\3Sc4cc(OCCCCCCCCCCCC)ccc4C3=O)C(c1ccc(c2)OCCCCCCCCCCCC)=O
SPLASH splash10-014i-0002009000-3b66c515dc9998c59404
Source of Spectrum AT-35-7552-1
Wiley ID 852993