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(3S,3aS,9bS)-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)-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 GVtjftvOm36
InChI InChI=1S/C17H17NO3S/c1-18-11-14(12-7-3-2-4-8-12)17-16(18)13-9-5-6-10-15(13)21-22(17,19)20/h2-10,14,16-17H,11H2,1H3/t14-,16+,17+/m1/s1
InChIKey VPDXPWCECMWVHO-PVAVHDDUSA-N
Mol Weight 315.39 g/mol
Molecular Formula C17H17NO3S
Exact Mass 315.092915 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID ETWLKmQQPcm
Name (3S,3aS,9bS)-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 C17H17NO3S
InChI InChI=1S/C17H17NO3S/c1-18-11-14(12-7-3-2-4-8-12)17-16(18)13-9-5-6-10-15(13)21-22(17,19)20/h2-10,14,16-17H,11H2,1H3/t14-,16+,17+/m1/s1
InChIKey VPDXPWCECMWVHO-PVAVHDDUSA-N
Molecular Weight 315.387 g/mol
SMILES [C@@]12(S(Oc3ccccc3[C@@]2(N(C)C[C@@]1(c1ccccc1)[H])[H])(=O)=O)[H]
SPLASH splash10-0aor-0983000000-d72cb0bc85d47aa711b6
Source of Spectrum F-68-3646-4a
Synonyms 1-Methyl-3-phenyl-1,2,3,3a,4,9b-hexahydrobenzo[e][1,2]oxathiino[4,3-b]pyrrole-4,4-dioxide
Wiley ID 1708525