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2-Oxa-6-azatricyclo[3.3.1.1(3,7)]decane, 4,8-diiodo-6-(phenylsulfonyl)-, (1.alpha.,3.beta.,4.beta.,5.alpha.,7.beta.,8.alpha.)-
SpectraBase Compound ID HhZtLaDY1bI
InChI InChI=1S/C14H15I2NO3S/c15-13-9-6-11-14(16)10(7-12(13)20-11)17(9)21(18,19)8-4-2-1-3-5-8/h1-5,9-14H,6-7H2/t9-,10-,11-,12-,13+,14+/m1/s1
InChIKey QSEWEHPACNWDGD-UHFFFAOYSA-N
Mol Weight 531.15 g/mol
Molecular Formula C14H15I2NO3S
Exact Mass 530.886205 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID LdfKHq61PKI
Name 2-Oxa-6-azatricyclo[3.3.1.1(3,7)]decane, 4,8-diiodo-6-(phenylsulfonyl)-, (1.alpha.,3.beta.,4.beta.,5.alpha.,7.beta.,8.alpha.)-
CAS Registry Number 50267-19-1
Copyright Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved.
Formula C14H15I2NO3S
InChI InChI=1S/C14H15I2NO3S/c15-13-9-6-11-14(16)10(7-12(13)20-11)17(9)21(18,19)8-4-2-1-3-5-8/h1-5,9-14H,6-7H2/t9-,10-,11-,12-,13-,14+/m1/s1
InChIKey QSEWEHPACNWDGD-UHFFFAOYSA-N
Molecular Weight 531.147 g/mol
SMILES c1cc(S(N2[C@]3([C@]([C@]4(C[C@@]2([C@@]([C@](O4)(C3)[H])(I)[H])[H])[H])(I)[H])[H])(=O)=O)ccc1
SPLASH splash10-0ufr-9420510000-8c5d1978516db0df43ee
Synonyms 2-Oxa-6-azatricyclo[3.3.1.1(3,7)]decane, 4,8-diiodo-6-(phenylsulfonyl)-, (1.alpha.,3.beta.,4.alpha.,5.alpha.,7.beta.,8.beta.)- 2-Oxa-6-azatricyclo[3.3.1.1(3,7)]decane, 4,8-diiodo-6-(phenylsulfonyl)-, (1.alpha.,3.beta.,4.beta.,5.alpha.,7.beta.,8.beta.)-
Wiley ID 1480554