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Methyl 4-[5'-benzylimino-4'-phenyl-.delta(2).-1,3,4-thiadiazolin-2'-yl]-5-oxopentanoate
SpectraBase Compound ID 1uEYjaVZrzo
InChI InChI=1S/C21H21N3O3S/c1-27-19(26)14-8-13-18(25)20-23-24(17-11-6-3-7-12-17)21(28-20)22-15-16-9-4-2-5-10-16/h2-7,9-12H,8,13-15H2,1H3/b22-21-
InChIKey ZCUTVKCWCTZKRY-DQRAZIAOSA-N
Mol Weight 395.48 g/mol
Molecular Formula C21H21N3O3S
Exact Mass 395.130363 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID DHX5e90syqE
Name Methyl 4-[5'-benzylimino-4'-phenyl-.delta(2).-1,3,4-thiadiazolin-2'-yl]-5-oxopentanoate
Alternate Name(s) Methyl 5-oxo-5-((5Z)-4-phenyl-5-{[(Z)-phenylmethyl]imino}-4,5-dihydro-1,3,4-thiadiazol-2-yl)pentanoate
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Formula C21H21N3O3S
InChI InChI=1S/C21H21N3O3S/c1-27-19(26)14-8-13-18(25)20-23-24(17-11-6-3-7-12-17)21(28-20)22-15-16-9-4-2-5-10-16/h2-7,9-12H,8,13-15H2,1H3/b22-21-
InChIKey ZCUTVKCWCTZKRY-DQRAZIAOSA-N
Molecular Weight 395.477 g/mol
SMILES C=1(S\C(N(N1)c1ccccc1)=N/Cc1ccccc1)C(=O)CCCC(=O)OC
SPLASH splash10-004i-2903000000-69bd51954f0739b76f4c
Source of Spectrum D8-330-51-12
Wiley ID 1516379