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(3S,3aS,9bS)-6-Methoxy-1-methyl-3-phenyl-2,3,3a,9b-tetrahydro-1H-5-oxa-4-thia-1-aza-cyclopenta[a]naphthalene 4,4-dioxide
SpectraBase Compound ID oU4EIfUpKf
InChI InChI=1S/C18H19NO4S/c1-19-11-14(12-7-4-3-5-8-12)18-16(19)13-9-6-10-15(22-2)17(13)23-24(18,20)21/h3-10,14,16,18H,11H2,1-2H3/t14-,16+,18+/m1/s1
InChIKey HPDRKEMYKBBMBI-HFTRVMKXSA-N
Mol Weight 345.41 g/mol
Molecular Formula C18H19NO4S
Exact Mass 345.103479 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID IbaNr5y2a2m
Name (3S,3aS,9bS)-6-Methoxy-1-methyl-3-phenyl-2,3,3a,9b-tetrahydro-1H-5-oxa-4-thia-1-aza-cyclopenta[a]naphthalene 4,4-dioxide
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Formula C18H19NO4S
InChI InChI=1S/C18H19NO4S/c1-19-11-14(12-7-4-3-5-8-12)18-16(19)13-9-6-10-15(22-2)17(13)23-24(18,20)21/h3-10,14,16,18H,11H2,1-2H3/t14-,16+,18+/m1/s1
InChIKey HPDRKEMYKBBMBI-HFTRVMKXSA-N
Molecular Weight 345.413 g/mol
SMILES [C@@]12(S(Oc3c(cccc3[C@@]2(N(C)C[C@@]1(c1ccccc1)[H])[H])OC)(=O)=O)[H]
SPLASH splash10-000i-0293000000-707fc02b637a2a412143
Source of Spectrum F-68-3646-4b
Synonyms 6-Methoxy-1-methyl-3-phenyl-1,2,3,3a,4,9b-hexahydrobenzo[e][1,2]oxathiino[4,3-b]pyrrole-4,4-dioxide
Wiley ID 1708524