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(3S,3aS,9bS)-7-Methoxy-1-methyl-3-phenyl-2,3,3a,9b-tetrahydro-1H-5-oxa-4-thia-1-aza-cyclopenta[a]naphthalene 4,4-dioxide

View entire compound with spectra: 1 MS (GC)

(3S,3aS,9bS)-7-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 AGZf0GKcsh7
InChI InChI=1S/C18H19NO4S/c1-19-11-15(12-6-4-3-5-7-12)18-17(19)14-9-8-13(22-2)10-16(14)23-24(18,20)21/h3-10,15,17-18H,11H2,1-2H3/t15-,17+,18+/m1/s1
InChIKey QUEXVQWANSEWER-NJAFHUGGSA-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 79322lZk4Yq
Name (3S,3aS,9bS)-7-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/c1-19-11-15(12-6-4-3-5-7-12)18-17(19)14-9-8-13(22-2)10-16(14)23-24(18,20)21/h3-10,15,17-18H,11H2,1-2H3/t15-,17+,18+/m1/s1
InChIKey QUEXVQWANSEWER-NJAFHUGGSA-N
Molecular Weight 345.413 g/mol
SMILES [C@@]12(S(Oc3cc(ccc3[C@@]2(N(C)C[C@@]1(c1ccccc1)[H])[H])OC)(=O)=O)[H]
SPLASH splash10-000i-0493000000-97c0c4d9c942cb53b584
Source of Spectrum F-68-3646-4c
Synonyms 7-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 1708523