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Methyl (1S,2R,4aR,8S,8aR)-8-(imidazol-1-ylthiocarbonyl)oxy-2-methyl-4-oxadecahydronaphthalene-1-carboxylate
SpectraBase Compound ID Ddv2MS4kDDL
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/t10-,11+,13+,14+,15+/m1/s1
InChIKey GVLJXHPXDBXDJW-GCPZOVCVSA-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 8AUuFpfVSFz
Name Methyl (1S,2R,4aR,8S,8aR)-8-(imidazol-1-ylthiocarbonyl)oxy-2-methyl-4-oxadecahydronaphthalene-1-carboxylate
Alternate Name(s) Methyl (1S,2R,4aR,8S,8aR)-8-(imidazole-1-thiocarbonyl)oxy-2-methyl-4-oxo-decahydro-naphthalene-1-carboxylate Methyl (1S,2R,4aR,8S,8aR)-8-[(1H-imidazol-1-ylcarbothioyl)oxy]-2-methyl-4-oxodecahydro-1-naphthalenecarboxylate O-[(1S,2R,4aR,8S,8aR)-Methyl-1,2,3,4a,6,7,8,8a-Octahydro-8-hydroxy-2-methylnaphthalen-4(4aH)-one-1-carboxylate-8-yl]thiocarboxyimidazolide
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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/t10-,11+,13+,14+,15+/m1/s1
InChIKey GVLJXHPXDBXDJW-GCPZOVCVSA-N
Molecular Weight 350.433 g/mol
SMILES C([n]1cncc1)(O[C@@]1([C@]2([C@]([C@](C)(CC([C@]2([H])CCC1)=O)[H])(C(=O)OC)[H])[H])[H])=S
SPLASH splash10-0229-2890000000-ed735df60b29e85b1251
Source of Spectrum J-67-5973-16
Wiley ID 1570705