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4,7-Di(4-butoxyphenyl)-6-(3,4-dimethoxyphenyl)-1,2,5-thiadiazolo(3,4-c)pyridine
SpectraBase Compound ID AFU51jfM4Gc
InChI InChI=1S/C33H35N3O4S/c1-5-7-19-39-25-14-9-22(10-15-25)29-30(24-13-18-27(37-3)28(21-24)38-4)34-31(33-32(29)35-41-36-33)23-11-16-26(17-12-23)40-20-8-6-2/h9-18,21H,5-8,19-20H2,1-4H3
InChIKey DOAYSCQZBMYDFI-UHFFFAOYSA-N
Mol Weight 569.7 g/mol
Molecular Formula C33H35N3O4S
Exact Mass 569.234828 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 4lsuw3IWp2T
Name 4,7-Di(4-butoxyphenyl)-6-(3,4-dimethoxyphenyl)-1,2,5-thiadiazolo(3,4-c)pyridine
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C33H35N3O4S
InChI InChI=1S/C33H35N3O4S/c1-5-7-19-39-25-14-9-22(10-15-25)29-30(24-13-18-27(37-3)28(21-24)38-4)34-31(33-32(29)35-41-36-33)23-11-16-26(17-12-23)40-20-8-6-2/h9-18,21H,5-8,19-20H2,1-4H3
InChIKey DOAYSCQZBMYDFI-UHFFFAOYSA-N
Ionization Type EI-B
Molecular Weight 569.720 g/mol
SMILES c1(OCCCC)ccc(cc1)-c1c2c(c(c(n1)-c1cc(c(cc1)OC)OC)-c1ccc(cc1)OCCCC)nsn2
SPLASH splash10-014i-8001190000-b0851c3e61b96c63f2ed
Source of Spectrum SRH-2022-11515-0
Wiley ID 1833099