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Methyl 4-[5'-phenylimino-4'-phenyl-.delta(2).-1,3,4-thiadiazolin-2'-yl]-5-oxopentanoate
SpectraBase Compound ID 5C0er7ZkYxI
InChI InChI=1S/C20H19N3O3S/c1-26-18(25)14-8-13-17(24)19-22-23(16-11-6-3-7-12-16)20(27-19)21-15-9-4-2-5-10-15/h2-7,9-12H,8,13-14H2,1H3/b21-20-
InChIKey NXPQZLLSCCNGFC-MRCUWXFGSA-N
Mol Weight 381.45 g/mol
Molecular Formula C20H19N3O3S
Exact Mass 381.114713 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 4cv0ZuPBykM
Name Methyl 4-[5'-phenylimino-4'-phenyl-.delta(2).-1,3,4-thiadiazolin-2'-yl]-5-oxopentanoate
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Formula C20H19N3O3S
InChI InChI=1S/C20H19N3O3S/c1-26-18(25)14-8-13-17(24)19-22-23(16-11-6-3-7-12-16)20(27-19)21-15-9-4-2-5-10-15/h2-7,9-12H,8,13-14H2,1H3/b21-20-
InChIKey NXPQZLLSCCNGFC-MRCUWXFGSA-N
Molecular Weight 381.450 g/mol
SMILES C=1(S\C(N(N1)c1ccccc1)=N/c1ccccc1)C(=O)CCCC(=O)OC
SPLASH splash10-0059-0905000000-c320d73a2b50ff320ceb
Source of Spectrum D8-330-51-12
Synonyms Methyl 5-oxo-5-[(5Z)-4-phenyl-5-(phenylimino)-4,5-dihydro-1,3,4-thiadiazol-2-yl]pentanoate
Wiley ID 1516380