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diethyl 1-[2-[2-[(4-methoxybenzoyl)carbamothioyl]hydrazino]-2-oxo-ethyl]-2,5-dimethyl-pyrrole-3,4-dicarboxylate
SpectraBase Compound ID 3wkElGw4V8Q
InChI InChI=1S/C23H28N4O7S/c1-6-33-21(30)18-13(3)27(14(4)19(18)22(31)34-7-2)12-17(28)25-26-23(35)24-20(29)15-8-10-16(32-5)11-9-15/h8-11H,6-7,12H2,1-5H3,(H,25,28)(H2,24,26,29,35)
InChIKey UMJZZMVJFXHABN-UHFFFAOYSA-N
Mol Weight 504.56 g/mol
Molecular Formula C23H28N4O7S
Exact Mass 504.16787 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 9zMwAA4II5f
Name diethyl 1-[2-[2-[(4-methoxybenzoyl)carbamothioyl]hydrazino]-2-oxo-ethyl]-2,5-dimethyl-pyrrole-3,4-dicarboxylate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C23H28N4O7S
InChI InChI=1S/C23H28N4O7S/c1-6-33-21(30)18-13(3)27(14(4)19(18)22(31)34-7-2)12-17(28)25-26-23(35)24-20(29)15-8-10-16(32-5)11-9-15/h8-11H,6-7,12H2,1-5H3,(H,25,28)(H2,24,26,29,35)
InChIKey UMJZZMVJFXHABN-UHFFFAOYSA-N
Instrument Name Micromass ZAB-HS
Ionization Type EI
Literature Reference DOI 10.1002_(SICI)1097-0231(19980515)12_9_580
Molecular Weight 504.558 g/mol
SMILES N(C(C[n]1c(c(C(=O)OCC)c(c1C)C(OCC)=O)C)=O)NC(=S)NC(=O)c1ccc(cc1)OC
SPLASH splash10-000i-3900000000-e153d37222150101f2f2
Source of Spectrum RCM-12-582-2c
Wiley ID 1836222