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Ethyl N-(3-Cyano-5,5,7,7-tetramethyl-4,5,6,7-tetrahydro-thieno[2,3-c]pyridin-2-yl)carbamate monohydrate
SpectraBase Compound ID 2cGe7JIMpAZ
InChI InChI=1S/C15H21N3O2S.H2O/c1-6-20-13(19)17-12-10(8-16)9-7-14(2,3)18-15(4,5)11(9)21-12;/h18H,6-7H2,1-5H3,(H,17,19);1H2
InChIKey NZOMVHGFNYATHZ-UHFFFAOYSA-N
Mol Weight 325.43 g/mol
Molecular Formula C15H23N3O3S
Exact Mass 325.146013 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID KcQNmECDsVg
Name Ethyl N-(3-Cyano-5,5,7,7-tetramethyl-4,5,6,7-tetrahydro-thieno[2,3-c]pyridin-2-yl)carbamate monohydrate
Alternate Name(s) Ethyl (3-cyano-5,5,7,7-tetramethyl-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-2-yl)carbamate hydrate
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Formula C15H23N3O3S
InChI InChI=1S/C15H21N3O2S.H2O/c1-6-20-13(19)17-12-10(8-16)9-7-14(2,3)18-15(4,5)11(9)21-12;/h18H,6-7H2,1-5H3,(H,17,19);1H2
InChIKey NZOMVHGFNYATHZ-UHFFFAOYSA-N
Molecular Weight 325.427 g/mol
SMILES O.N1C(c2c(c(c(s2)NC(=O)OCC)C#N)CC1(C)C)(C)C
SPLASH splash10-0006-0090000000-9d3fbc563d8b2b7a5ad7
Source of Spectrum HAC-9-534-11
Wiley ID 1785233