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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 NeespZbVpW
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 50267-20-4
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 [C@]12([C@@]([C@@]3(O[C@](C2)([C@]([C@](N1S(c1ccccc1)(=O)=O)(C3)[H])(I)[H])[H])[H])(I)[H])[H]
SPLASH splash10-0fb9-9200300000-f38221fd370599ae26d9
Source of Spectrum H-56-1979-18
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 1403437