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5H-[1,3]Oxathiolo[4,5-e]isoindole-6,8(5aH,7H)-dione, 8a,8b-dihydro-7-phenyl-, 1-oxide, (1.alpha.,5a.alpha.,8a.alpha.,8b.a lpha.)-
SpectraBase Compound ID GkUURRTY1D9
InChI InChI=1S/C15H13NO4S/c17-14-10-6-7-11-13(21(19)8-20-11)12(10)15(18)16(14)9-4-2-1-3-5-9/h1-5,7,10,12-13H,6,8H2/t10-,12-,13+,21?/m0/s1
InChIKey DIZVAHQUBYACPK-HUPOREIZSA-N
Mol Weight 303.33 g/mol
Molecular Formula C15H13NO4S
Exact Mass 303.056529 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 7AWVPf6tkZ7
Name 5H-[1,3]Oxathiolo[4,5-e]isoindole-6,8(5aH,7H)-dione, 8a,8b-dihydro-7-phenyl-, 1-oxide, (1.alpha.,5a.alpha.,8a.alpha.,8b.a lpha.)-
Alternate Name(s) (5aS,8aR,8bS)-7-phenyl-8a,8b-dihydro-5H-[1,3]oxathiolo[4,5-e]isoindole-6,8(5aH,7H)-dione 1-oxide
CAS Registry Number 114274-89-4
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C15H13NO4S
InChI InChI=1S/C15H13NO4S/c17-14-10-6-7-11-13(21(19)8-20-11)12(10)15(18)16(14)9-4-2-1-3-5-9/h1-5,7,10,12-13H,6,8H2/t10-,12-,13+,21?/m0/s1
InChIKey DIZVAHQUBYACPK-HUPOREIZSA-N
Molecular Weight 303.332 g/mol
SMILES C1(N(C([C@]2(CC=C3OCS([C@]3([C@@]12[H])[H])=O)[H])=O)c1ccccc1)=O
SPLASH splash10-006x-9060000000-1c19ea6682fc3df21a5b
Source of Spectrum C-110-4633-31
Wiley ID 1305503