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o-((1S,2R,(4A)R,8S,(8A)R)-methyl 1,2,3,5,6,7,8,(8a)-octahydro-8-hydroxy-2-methylnaphthalen-4((4a)h)-one-1-carboxylate-8-yl) thiocarboxyimidazole
SpectraBase Compound ID B56hS5F3Ogt
InChI InChI=1S/C17H22N2O4S/c1-10-8-12(20)11-4-3-5-13(15(11)14(10)16(21)22-2)23-17(24)19-7-6-18-9-19/h6-7,9-11,13-15H,3-5,8H2,1-2H3
InChIKey GVLJXHPXDBXDJW-UHFFFAOYSA-N
Mol Weight 350.43 g/mol
Molecular Formula C17H22N2O4S
Exact Mass 350.130028 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID HWkd1hRgUZJ
Name o-((1S,2R,(4A)R,8S,(8A)R)-methyl 1,2,3,5,6,7,8,(8a)-octahydro-8-hydroxy-2-methylnaphthalen-4((4a)h)-one-1-carboxylate-8-yl) thiocarboxyimidazole
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Formula C17H22N2O4S
InChI InChI=1S/C17H22N2O4S/c1-10-8-12(20)11-4-3-5-13(15(11)14(10)16(21)22-2)23-17(24)19-7-6-18-9-19/h6-7,9-11,13-15H,3-5,8H2,1-2H3
InChIKey GVLJXHPXDBXDJW-UHFFFAOYSA-N
Ionization Type EI-B
Molecular Weight 350.433 g/mol
SMILES COC(=O)C1C(C)CC(C2C1C(OC(=S)[n]1ccnc1)CCC2)=O
SPLASH splash10-0229-8940000000-4e5d6606a9373f9741e0
Source of Spectrum SRH-2022-12127-0
Wiley ID 1833653