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Pyrrole, 3,4-dimethyl-2-carbbenzyloxy-5-[(3,4-dimethyl-2-thione-2H(5H)-pyrrol-5-yl)methylidene]-
SpectraBase Compound ID 6fmMKDK4IBo
InChI InChI=1S/C21H22N2O2S/c1-12-14(3)19(21(24)25-11-16-8-6-5-7-9-16)22-17(12)10-18-13(2)15(4)20(26)23-18/h5-9,22H,10-11H2,1-4H3
InChIKey YXKXJRPCYMEYJP-UHFFFAOYSA-N
Mol Weight 366.48 g/mol
Molecular Formula C21H22N2O2S
Exact Mass 366.140199 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID DX7SkPPpcjI
Name Pyrrole, 3,4-dimethyl-2-carbbenzyloxy-5-[(3,4-dimethyl-2-thione-2H(5H)-pyrrol-5-yl)methylidene]-
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H22N2O2S
InChI InChI=1S/C21H22N2O2S/c1-12-14(3)19(21(24)25-11-16-8-6-5-7-9-16)22-17(12)10-18-13(2)15(4)20(26)23-18/h5-9,22H,10-11H2,1-4H3
InChIKey YXKXJRPCYMEYJP-UHFFFAOYSA-N
Molecular Weight 366.479 g/mol
SMILES [nH]1c(c(c(c1C(OCc1ccccc1)=O)C)C)CC=1C(=C(C(N1)=S)C)C
SPLASH splash10-017i-3494000000-e394082b8dea72528c64
Synonyms Benzyl 5-[(3,4-dimethyl-2-thioxo-2H-pyrrol-5-yl)methyl]-3,4-dimethyl-1H-pyrrole-2-carboxylate Benzyl 5-[(Z)-(3,4-dimethyl-5-thioxo-1,5-dihydro-2H-pyrrol-2-ylidene)methyl]-3,4-dimethyl-1H-pyrrole-2-carboxylate Pyrrole, 3,4-dimethyl-2-carbobenzyloxy-5-[(3,4-dimethyl-2-thioxo-3-pyrrolin-5-ylene)methyl]-
Wiley ID 1479200