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diethyl 1-[[5-[(4-methoxybenzoyl)amino]-1,3,4-thiadiazol-2-yl]methyl]-2,5-dimethyl-pyrrole-3,4-dicarboxylate
SpectraBase Compound ID 1u6VSgR2BEZ
InChI InChI=1S/C23H26N4O6S/c1-6-32-21(29)18-13(3)27(14(4)19(18)22(30)33-7-2)12-17-25-26-23(34-17)24-20(28)15-8-10-16(31-5)11-9-15/h8-11H,6-7,12H2,1-5H3,(H,24,26,28)
InChIKey VYQJSITXEJMZKL-UHFFFAOYSA-N
Mol Weight 486.54 g/mol
Molecular Formula C23H26N4O6S
Exact Mass 486.157306 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Krc8RQYxFx8
Name diethyl 1-[[5-[(4-methoxybenzoyl)amino]-1,3,4-thiadiazol-2-yl]methyl]-2,5-dimethyl-pyrrole-3,4-dicarboxylate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C23H26N4O6S
InChI InChI=1S/C23H26N4O6S/c1-6-32-21(29)18-13(3)27(14(4)19(18)22(30)33-7-2)12-17-25-26-23(34-17)24-20(28)15-8-10-16(31-5)11-9-15/h8-11H,6-7,12H2,1-5H3,(H,24,26,28)
InChIKey VYQJSITXEJMZKL-UHFFFAOYSA-N
Instrument Name Micromass ZAB-HS
Ionization Type EI
Literature Reference DOI 10.1002_(SICI)1097-0231(19980515)12_9_580
Molecular Weight 486.543 g/mol
SMILES N(c1sc(C[n]2c(c(C(=O)OCC)c(c2C)C(OCC)=O)C)nn1)C(=O)c1ccc(cc1)OC
SPLASH splash10-000i-0900000000-2c35af7152b7a0387e46
Source of Spectrum RCM-12-583-3b
Wiley ID 1836224