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Methyl 4-[5'-imino-4'-phenyl-.delta(2).-1,3,4-thiadiazolin-2'-yl]-5-oxopentanoate
SpectraBase Compound ID JXR1FJ6XPUs
InChI InChI=1S/C14H15N3O3S/c1-20-12(19)9-5-8-11(18)13-16-17(14(15)21-13)10-6-3-2-4-7-10/h2-4,6-7,15H,5,8-9H2,1H3
InChIKey TVKKXYYPWFCUDL-UHFFFAOYSA-N
Mol Weight 305.35 g/mol
Molecular Formula C14H15N3O3S
Exact Mass 305.083413 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 9xtNrKsaWeS
Name Methyl 4-[5'-imino-4'-phenyl-.delta(2).-1,3,4-thiadiazolin-2'-yl]-5-oxopentanoate
Alternate Name(s) Methyl 5-(5-imino-4-phenyl-4,5-dihydro-1,3,4-thiadiazol-2-yl)-5-oxopentanoate Methyl 5-(5-imino-4-phenyl-.delta.2-1,3,4-thiadiazolin-2-yl)5-oxopentanoate
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Formula C14H15N3O3S
InChI InChI=1S/C14H15N3O3S/c1-20-12(19)9-5-8-11(18)13-16-17(14(15)21-13)10-6-3-2-4-7-10/h2-4,6-7,15H,5,8-9H2,1H3
InChIKey TVKKXYYPWFCUDL-UHFFFAOYSA-N
Molecular Weight 305.352 g/mol
SMILES N=C1N(N=C(S1)C(=O)CCCC(=O)OC)c1ccccc1
SPLASH splash10-004i-1902000000-093ae24afc954c5aea85
Source of Spectrum D8-330-52-13
Wiley ID 1516378