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exo-2-tert-Butoxy-exo-3-phenylsulfonyl-exo-6-bromo-7-oxabtrcyclo[2.2.1.0(3,5)]heptane
SpectraBase Compound ID LLfcXBVY5cJ
InChI InChI=1S/C16H19BrO4S/c1-15(2,3)21-14-12-11(17)10-13(20-12)16(10,14)22(18,19)9-7-5-4-6-8-9/h4-8,10-14H,1-3H3/t10-,11-,12-,13+,14-,16+/m0/s1
InChIKey BDEIOXQGGXECRQ-SFYOKDCNSA-N
Mol Weight 387.29 g/mol
Molecular Formula C16H19BrO4S
Exact Mass 386.018743 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID HRtLKmdI6hB
Name exo-2-tert-Butoxy-exo-3-phenylsulfonyl-exo-6-bromo-7-oxabtrcyclo[2.2.1.0(3,5)]heptane
Alternate Name(s) 5-Bromo-7-tert-butoxy-1-(phenylsulfonyl)-3-oxatricyclo[2.2.1.0(2,6)]heptane 5-Bromo-7-tert-butoxy-3-oxatricyclo[2.2.1.0(2,6)]hept-1-yl phenyl sulfone
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Formula C16H19BrO4S
InChI InChI=1S/C16H19BrO4S/c1-15(2,3)21-14-12-11(17)10-13(20-12)16(10,14)22(18,19)9-7-5-4-6-8-9/h4-8,10-14H,1-3H3/t10-,11-,12-,13+,14-,16+/m0/s1
InChIKey BDEIOXQGGXECRQ-SFYOKDCNSA-N
Molecular Weight 387.288 g/mol
SMILES [C@@]12([C@]3([C@](Br)([C@@]([C@@]2(OC(C)(C)C)[H])(O[C@@]13[H])[H])[H])[H])S(=O)(=O)c1ccccc1
SPLASH splash10-001i-0189000000-62936c85203c938d3fbd
Source of Spectrum KC-0-2315-15
Wiley ID 822023