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4,7-Di(4-butoxyphenyl)-6-(2-methoxyphenyl)-1,2,5-thiadiazolo(3,4-c)pyridine
SpectraBase Compound ID Xow2YrcQ8N
InChI InChI=1S/C32H33N3O3S/c1-4-6-20-37-24-16-12-22(13-17-24)28-30(26-10-8-9-11-27(26)36-3)33-29(32-31(28)34-39-35-32)23-14-18-25(19-15-23)38-21-7-5-2/h8-19H,4-7,20-21H2,1-3H3
InChIKey HKIIDQRZHFXTIB-UHFFFAOYSA-N
Mol Weight 539.7 g/mol
Molecular Formula C32H33N3O3S
Exact Mass 539.224263 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 5y8DAxDg0nk
Name 4,7-Di(4-butoxyphenyl)-6-(2-methoxyphenyl)-1,2,5-thiadiazolo(3,4-c)pyridine
Copyright Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved.
Formula C32H33N3O3S
InChI InChI=1S/C32H33N3O3S/c1-4-6-20-37-24-16-12-22(13-17-24)28-30(26-10-8-9-11-27(26)36-3)33-29(32-31(28)34-39-35-32)23-14-18-25(19-15-23)38-21-7-5-2/h8-19H,4-7,20-21H2,1-3H3
InChIKey HKIIDQRZHFXTIB-UHFFFAOYSA-N
Ionization Type EI-B
Molecular Weight 539.694 g/mol
SMILES c12nsnc2c(nc(-c2ccccc2OC)c1-c1ccc(cc1)OCCCC)-c1ccc(cc1)OCCCC
SPLASH splash10-000i-7101290000-ad008ff776532001a9fe
Source of Spectrum SRH-2022-11514-0
Wiley ID 1833098