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6,6'-Di-n-Octyloxythioindigo

View entire compound with spectra: 1 MS (GC)

6,6'-Di-n-Octyloxythioindigo
SpectraBase Compound ID 4VQeA76ORTF
InChI InChI=1S/C32H40O4S2/c1-3-5-7-9-11-13-19-35-23-15-17-25-27(21-23)37-31(29(25)33)32-30(34)26-18-16-24(22-28(26)38-32)36-20-14-12-10-8-6-4-2/h15-18,21-22H,3-14,19-20H2,1-2H3/b32-31+
InChIKey RWJQTRAWRUJZRI-QNEJGDQOSA-N
Mol Weight 552.8 g/mol
Molecular Formula C32H40O4S2
Exact Mass 552.236802 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID FrV7UyxFeJo
Name 6,6'-Di-n-Octyloxythioindigo
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C32H40O4S2
InChI InChI=1S/C32H40O4S2/c1-3-5-7-9-11-13-19-35-23-15-17-25-27(21-23)37-31(29(25)33)32-30(34)26-18-16-24(22-28(26)38-32)36-20-14-12-10-8-6-4-2/h15-18,21-22H,3-14,19-20H2,1-2H3/b32-31+
InChIKey RWJQTRAWRUJZRI-QNEJGDQOSA-N
Molecular Weight 552.788 g/mol
SMILES c12S\C(=C\3Sc4cc(OCCCCCCCC)ccc4C3=O)C(c1ccc(c2)OCCCCCCCC)=O
SPLASH splash10-00di-0001090000-9fdd4496f5f3fa3989c5
Source of Spectrum AT-35-7552-1
Wiley ID 852995