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Ethyl-6-cyano-7,8,9,10-tetrahydro[1,2,4]triazolo[3,4-a]isoquinoline-5-sulfanyl acetate
SpectraBase Compound ID HDesZcYMeUH
InChI InChI=1S/C15H16N4O2S/c1-2-21-13(20)8-22-15-12(7-16)10-5-3-4-6-11(10)14-18-17-9-19(14)15/h9H,2-6,8H2,1H3
InChIKey PANUCSFNYBJTGQ-UHFFFAOYSA-N
Mol Weight 316.38 g/mol
Molecular Formula C15H16N4O2S
Exact Mass 316.099397 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 77wkm09rpdo
Name Ethyl-6-cyano-7,8,9,10-tetrahydro[1,2,4]triazolo[3,4-a]isoquinoline-5-sulfanyl acetate
Alternate Name(s) 2-[(6-cyano-7,8,9,10-tetrahydro-[1,2,4]triazolo[3,4-a]isoquinolin-5-yl)thio]acetic acid ethyl ester Ethyl 2-[(6-cyano-7,8,9,10-tetrahydro-[1,2,4]triazolo[3,4-a]isoquinolin-5-yl)sulfanyl]acetate Ethyl 2-[(6-cyano-7,8,9,10-tetrahydro-[1,2,4]triazolo[3,4-a]isoquinolin-5-yl)sulfanyl]ethanoate
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Formula C15H16N4O2S
InChI InChI=1S/C15H16N4O2S/c1-2-21-13(20)8-22-15-12(7-16)10-5-3-4-6-11(10)14-18-17-9-19(14)15/h9H,2-6,8H2,1H3
InChIKey PANUCSFNYBJTGQ-UHFFFAOYSA-N
Molecular Weight 316.379 g/mol
SMILES C=1([n]2c(C=3CCCCC3C1C#N)nnc2)SCC(=O)OCC
SPLASH splash10-01b9-0069000000-ec59d8a7d7a810823e0e
Source of Spectrum F2-46-574-12b
Wiley ID 1690131