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(3R,3aR,9bS)-8-Bromo-1,3-diphenyl-1,3,3a,9b-tetrahydro-2,5-dioxa-4-thia1-aza-cyclopenta[a]naphthalene 4,4-dioxide

View entire compound with spectra: 1 MS (GC)

(3R,3aR,9bS)-8-Bromo-1,3-diphenyl-1,3,3a,9b-tetrahydro-2,5-dioxa-4-thia1-aza-cyclopenta[a]naphthalene 4,4-dioxide
SpectraBase Compound ID 3KrXNqgOG0e
InChI InChI=1S/C21H16BrNO4S/c22-15-11-12-18-17(13-15)19-21(28(24,25)27-18)20(14-7-3-1-4-8-14)26-23(19)16-9-5-2-6-10-16/h1-13,19-21H/t19-,20-,21+/m0/s1
InChIKey ZCLRTLHUDILGFT-PCCBWWKXSA-N
Mol Weight 458.33 g/mol
Molecular Formula C21H16BrNO4S
Exact Mass 456.998342 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID L5ri2p0lgL8
Name (3R,3aR,9bS)-8-Bromo-1,3-diphenyl-1,3,3a,9b-tetrahydro-2,5-dioxa-4-thia1-aza-cyclopenta[a]naphthalene 4,4-dioxide
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Formula C21H16BrNO4S
InChI InChI=1S/C21H16BrNO4S/c22-15-11-12-18-17(13-15)19-21(28(24,25)27-18)20(14-7-3-1-4-8-14)26-23(19)16-9-5-2-6-10-16/h1-13,19-21H/t19-,20-,21+/m0/s1
InChIKey ZCLRTLHUDILGFT-PCCBWWKXSA-N
Molecular Weight 458.326 g/mol
SMILES [C@@]12(S(Oc3ccc(cc3[C@@]2(N(c2ccccc2)O[C@]1(c1ccccc1)[H])[H])Br)(=O)=O)[H]
SPLASH splash10-052g-9800300000-7ea06831cd760259a377
Source of Spectrum F-68-3646-3j
Synonyms 1,3-Diphenyl-8-bromo-1,3,3a,9b-tetrahydrobenzo[e][1,2]-oxathiino[4,3-c]isoxazole-4,4-dioxide
Wiley ID 1708414