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3-[4'-(Ethoxycarbonyl)phenyl]-2-[(hydroxycarbonyl)methylthiomethyl]-4(3H)-quinazolin-4-one
SpectraBase Compound ID JxXTS1njVvY
InChI InChI=1S/C20H18N2O5S/c1-2-27-20(26)13-7-9-14(10-8-13)22-17(11-28-12-18(23)24)21-16-6-4-3-5-15(16)19(22)25/h3-10H,2,11-12H2,1H3,(H,23,24)
InChIKey PNIKPOLECWFKAW-UHFFFAOYSA-N
Mol Weight 398.43 g/mol
Molecular Formula C20H18N2O5S
Exact Mass 398.093643 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID HJfTYI0E0E8
Name 3-[4'-(Ethoxycarbonyl)phenyl]-2-[(hydroxycarbonyl)methylthiomethyl]-4(3H)-quinazolin-4-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C20H18N2O5S
InChI InChI=1S/C20H18N2O5S/c1-2-27-20(26)13-7-9-14(10-8-13)22-17(11-28-12-18(23)24)21-16-6-4-3-5-15(16)19(22)25/h3-10H,2,11-12H2,1H3,(H,23,24)
InChIKey PNIKPOLECWFKAW-UHFFFAOYSA-N
Molecular Weight 398.433 g/mol
SMILES OC(CSCC=1N(C(c2c(cccc2)N1)=O)c1ccc(C(=O)OCC)cc1)=O
SPLASH splash10-0a4i-0029000000-54730217c81469497184
Source of Spectrum G-58-1967-0
Wiley ID 748620