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2H-1,3-thiazine-6-carboxylic acid, 2-[(4-chlorophenyl)imino]tetrahydro-4-oxo-3-(2-tricyclo[3.3.1.1~3,7~]dec-1-ylethyl)-, (2E)-
SpectraBase Compound ID DiT4v0zGU46
InChI InChI=1S/C23H27ClN2O3S/c24-17-1-3-18(4-2-17)25-22-26(20(27)10-19(30-22)21(28)29)6-5-23-11-14-7-15(12-23)9-16(8-14)13-23/h1-4,14-16,19H,5-13H2,(H,28,29)/b25-22+/t14-,15+,16-,19?,23+
InChIKey HLPZEZRNGAXCJH-DWVVFQEKSA-N
Mol Weight 446.99 g/mol
Molecular Formula C23H27ClN2O3S
Exact Mass 446.143092 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 1coiTQ0ve9W
Name 3-(2-Adamantan-1-yl-ethyl)-2-(4-chloro-phenylimino)-4-oxo-[1,3]thiazinane-6-carboxylic acid
Alternate Name(s) (2E)-3-[2-(1-adamantyl)ethyl]-2-[(4-chlorophenyl)imino]-4-oxotetrahydro-2H-1,3-thiazine-6-carboxylic acid 3-[2-(1-adamantyl)ethyl]-2-[(4-chlorophenyl)imino]-4-oxo-1,3-thiazinane-6-carboxylic acid
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Formula C23H27ClN2O3S
InChI InChI=1S/C23H27ClN2O3S/c24-17-1-3-18(4-2-17)25-22-26(20(27)10-19(30-22)21(28)29)6-5-23-11-14-7-15(12-23)9-16(8-14)13-23/h1-4,14-16,19H,5-13H2,(H,28,29)/b25-22+/t14-,15+,16-,19?,23+
InChIKey HLPZEZRNGAXCJH-DWVVFQEKSA-N
Molecular Weight 446.993 g/mol
SMILES OC(C1CC(N(\C(S1)=N/c1ccc(cc1)Cl)CCC12C[C@]3(C[C@@](C2)(C[C@@](C1)(C3)[H])[H])[H])=O)=O
SPLASH splash10-002f-9420000000-5d0a0056878db757d538
Wiley ID 1464920