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5-azanylidene-2,3-dihydro-[1,3]thiazolo[3,2-b]isoquinoline-10-carbonitrile
SpectraBase Compound ID HOYxpFxX7Ql
InChI InChI=1S/C12H9N3S/c13-7-10-8-3-1-2-4-9(8)11(14)15-5-6-16-12(10)15/h1-4,14H,5-6H2
InChIKey JKYQJIYRXFNNKH-UHFFFAOYSA-N
Mol Weight 227.28 g/mol
Molecular Formula C12H9N3S
Exact Mass 227.051718 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 35Szp9zfJw
Name 5-azanylidene-2,3-dihydro-[1,3]thiazolo[3,2-b]isoquinoline-10-carbonitrile
Alternate Name(s) 5-imino-2,3-dihydro-[1,3]thiazolo[3,2-b]isoquinoline-10-carbonitrile 5-imino-2,3-dihydrothiazolo[3,2-b]isoquinoline-10-carbonitrile 5-imino-2,3-dihydrothiazol[3,2-b]isoquinoline-10-carbonitrile
Comments Less than 3 mono-isotopic peaks
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H9N3S
InChI InChI=1S/C12H9N3S/c13-7-10-8-3-1-2-4-9(8)11(14)15-5-6-16-12(10)15/h1-4,14H,5-6H2
InChIKey JKYQJIYRXFNNKH-UHFFFAOYSA-N
Molecular Weight 227.285 g/mol
SMILES N=C1N2C(=C(c3c1cccc3)C#N)SCC2
SPLASH splash10-004i-0090000000-73dfbd4d4c1e8dad69fe
Source of Spectrum Y-33-1796-18
Wiley ID 1228556