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(3R,3aR,9bS)-1,3-Diphenyl-1,3,3a,9b-tetrahydro-2,5-dioxa-4-thia-1-aza-cyclopenta[a]naphthalene 4,4-dioxide
SpectraBase Compound ID 9YFobb2jGpS
InChI InChI=1S/C21H17NO4S/c23-27(24)21-19(17-13-7-8-14-18(17)26-27)22(16-11-5-2-6-12-16)25-20(21)15-9-3-1-4-10-15/h1-14,19-21H/t19-,20+,21+/m0/s1
InChIKey OFRXXUORVMWMRO-PWRODBHTSA-N
Mol Weight 379.43 g/mol
Molecular Formula C21H17NO4S
Exact Mass 379.087829 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID IyMXRdxIxa1
Name (3R,3aR,9bS)-1,3-Diphenyl-1,3,3a,9b-tetrahydro-2,5-dioxa-4-thia-1-aza-cyclopenta[a]naphthalene 4,4-dioxide
Alternate Name(s) 1,3-Diphenyl-1,3,3a,9b-tetrahydrobenzo[e][1,2]-oxathiino[4,3-c]isoxazole-4,4-dioxide
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H17NO4S
InChI InChI=1S/C21H17NO4S/c23-27(24)21-19(17-13-7-8-14-18(17)26-27)22(16-11-5-2-6-12-16)25-20(21)15-9-3-1-4-10-15/h1-14,19-21H/t19-,20+,21+/m0/s1
InChIKey OFRXXUORVMWMRO-PWRODBHTSA-N
Molecular Weight 379.430 g/mol
SMILES [C@@]12(S(Oc3c([C@@]2(N(c2ccccc2)O[C@@]1(c1ccccc1)[H])[H])cccc3)(=O)=O)[H]
SPLASH splash10-004l-3419000000-e5b92cd513b928fbffc7
Source of Spectrum F-68-3646-3f
Wiley ID 1708528