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Dimethyl 1-benzyl-5-(dimethylamino)-2-(phenylthio)-1H-pyrrole-3,4-dicarboxylate

View entire compound with spectra: 1 NMR, and 1 MS (GC)

Dimethyl 1-benzyl-5-(dimethylamino)-2-(phenylthio)-1H-pyrrole-3,4-dicarboxylate
SpectraBase Compound ID 56dt80CYuDn
InChI InChI=1S/C23H24N2O4S/c1-24(2)20-18(22(26)28-3)19(23(27)29-4)21(30-17-13-9-6-10-14-17)25(20)15-16-11-7-5-8-12-16/h5-14H,15H2,1-4H3
InChIKey ZQHPPEQMINELDD-UHFFFAOYSA-N
Mol Weight 424.52 g/mol
Molecular Formula C23H24N2O4S
Exact Mass 424.145678 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID HYCo8FEFwiH
Name Dimethyl 1-benzyl-5-(dimethylamino)-2-(phenylthio)-1H-pyrrole-3,4-dicarboxylate
Comments Computed using HOSE algorithm
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Exact Mass 424.145678431 u
Formula C23H24N2O4S
InChI InChI=1S/C23H24N2O4S/c1-24(2)20-18(22(26)28-3)19(23(27)29-4)21(30-17-13-9-6-10-14-17)25(20)15-16-11-7-5-8-12-16/h5-14H,15H2,1-4H3
InChIKey ZQHPPEQMINELDD-UHFFFAOYSA-N
Molecular Weight 424.515 g/mol
SMILES C=1(C(=C(N(C)C)N(C1SC1=CC=CC=C1)CC=1C=CC=CC1)C(=O)OC)C(=O)OC