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1,3(2H,4H)-Quinazolinediacetic acid, .alpha.,.alpha.'-bis(2-methoxy-2-oxoethylidene)-4-oxo-2-thioxo-, dimethyl ester, (E,E)-

View entire compound with spectra: 1 MS (GC)

1,3(2H,4H)-Quinazolinediacetic acid, .alpha.,.alpha.'-bis(2-methoxy-2-oxoethylidene)-4-oxo-2-thioxo-, dimethyl ester, (E,E)-
SpectraBase Compound ID ClpS3qUiblt
InChI InChI=1S/C20H18N2O9S/c1-28-15(23)9-13(18(26)30-3)21-12-8-6-5-7-11(12)17(25)22(20(21)32)14(19(27)31-4)10-16(24)29-2/h5-10H,1-4H3/b13-9+,14-10+
InChIKey IVPXGUIHSYXAOK-UTLPMFLDSA-N
Mol Weight 462.43 g/mol
Molecular Formula C20H18N2O9S
Exact Mass 462.073301 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 9TXOBIf55XN
Name 1,3(2H,4H)-Quinazolinediacetic acid, .alpha.,.alpha.'-bis(2-methoxy-2-oxoethylidene)-4-oxo-2-thioxo-, dimethyl ester, (E,E)-
Alternate Name(s) Dimethyl (2E)-2-(1-[(1E)-3-methoxy-1-(methoxycarbonyl)-3-oxo-1-propenyl]-4-oxo-2-thioxo-1,4-dihydro-3(2H)-quinazolinyl)-2-butenedioate Tetramethyl 2,2'-(1'',2'',3'',4''-tetrahydro-4-oxo-2-thioxoquinazoline-1'',3''-diyl)-difumarate
CAS Registry Number 108732-39-4
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C20H18N2O9S
InChI InChI=1S/C20H18N2O9S/c1-28-15(23)9-13(18(26)30-3)21-12-8-6-5-7-11(12)17(25)22(20(21)32)14(19(27)31-4)10-16(24)29-2/h5-10H,1-4H3/b13-9+,14-10+
InChIKey IVPXGUIHSYXAOK-UTLPMFLDSA-N
Molecular Weight 462.429 g/mol
SMILES C1(N(C(c2c(N1\C(=C\C(=O)OC)C(=O)OC)cccc2)=O)\C(=C\C(=O)OC)C(=O)OC)=S
SPLASH splash10-0udi-0310900000-420ca365d065c77895c2
Source of Spectrum KC-1986-2098-6
Wiley ID 1390923