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(3R,3aR,9bS)-1-Methyl-3-phenyl-1,3,3a,9b-tetrahydro-2,5-dioxa-4-thia-1-aza-cyclopenta[a]naphthalene 4,4-dioxide
SpectraBase Compound ID IerXBCvS2Mp
InChI InChI=1S/C16H15NO4S/c1-17-14-12-9-5-6-10-13(12)21-22(18,19)16(14)15(20-17)11-7-3-2-4-8-11/h2-10,14-16H,1H3/t14-,15+,16+/m0/s1
InChIKey UDFRTUQFOVSXCU-ARFHVFGLSA-N
Mol Weight 317.36 g/mol
Molecular Formula C16H15NO4S
Exact Mass 317.072179 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 6v7w3E4JClS
Name (3R,3aR,9bS)-1-Methyl-3-phenyl-1,3,3a,9b-tetrahydro-2,5-dioxa-4-thia-1-aza-cyclopenta[a]naphthalene 4,4-dioxide
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Formula C16H15NO4S
InChI InChI=1S/C16H15NO4S/c1-17-14-12-9-5-6-10-13(12)21-22(18,19)16(14)15(20-17)11-7-3-2-4-8-11/h2-10,14-16H,1H3/t14-,15+,16+/m0/s1
InChIKey UDFRTUQFOVSXCU-ARFHVFGLSA-N
Molecular Weight 317.359 g/mol
SMILES [C@@]12(S(Oc3ccccc3[C@@]2(N(C)O[C@@]1(c1ccccc1)[H])[H])(=O)=O)[H]
SPLASH splash10-001i-0912000000-9e70389fbbc5df923ef7
Source of Spectrum F-68-3645-3a
Synonyms 1-Methyl-3-phenyl-1,3,3a,9b-tetrahydrobenzo[e][1,2]-oxathiino[4,3-c]isoxazole-4,4-dioxide
Wiley ID 1708533