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N-((3aS,4R,5S,7aS)-7-bromo-5-hydroxy-2,2-dimethyl-3a,4,5,7a-tetrahydro-benzo[1,3]dioxol-4-yl)-4-methylbenzenesulfonamide
SpectraBase Compound ID 6HOSHiRTStR
InChI InChI=1S/C16H20BrNO5S/c1-9-4-6-10(7-5-9)24(20,21)18-13-12(19)8-11(17)14-15(13)23-16(2,3)22-14/h4-8,12-15,18-19H,1-3H3/t12-,13+,14+,15-/m0/s1
InChIKey QNBGZGABLAJJGN-YJNKXOJESA-N
Mol Weight 418.3 g/mol
Molecular Formula C16H20BrNO5S
Exact Mass 417.024557 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID G2j7WMGDNUu
Name N-((3aS,4R,5S,7aS)-7-bromo-5-hydroxy-2,2-dimethyl-3a,4,5,7a-tetrahydro-benzo[1,3]dioxol-4-yl)-4-methylbenzenesulfonamide
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Formula C16H20BrNO5S
InChI InChI=1S/C16H20BrNO5S/c1-9-4-6-10(7-5-9)24(20,21)18-13-12(19)8-11(17)14-15(13)23-16(2,3)22-14/h4-8,12-15,18-19H,1-3H3/t12-,13+,14+,15-/m0/s1
InChIKey QNBGZGABLAJJGN-YJNKXOJESA-N
Molecular Weight 418.302 g/mol
SMILES N([C@]1([C@]2([C@@](C(=C[C@@]1(O)[H])Br)(OC(O2)(C)C)[H])[H])[H])S(c1ccc(cc1)C)(=O)=O
SPLASH splash10-0f6y-9130000000-dc1b84d1fb46c0112713
Source of Spectrum F-65-219-e
Wiley ID 1682145