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DL-(1.alpha.,2.beta.,4.beta.,5.beta.,7.beta.,8.beta.)-6-(4-methylphenylsulfonyl)-3-oxa-6-azatetracyclo[6.1.0.0(2,4).0(5,7)]nonane

View entire compound with spectra: 1 MS (GC)

DL-(1.alpha.,2.beta.,4.beta.,5.beta.,7.beta.,8.beta.)-6-(4-methylphenylsulfonyl)-3-oxa-6-azatetracyclo[6.1.0.0(2,4).0(5,7)]nonane
SpectraBase Compound ID FXZLhUlJuPS
InChI InChI=1S/C14H15NO3S/c1-7-2-4-8(5-3-7)19(16,17)15-11-9-6-10(9)13-14(18-13)12(11)15/h2-5,9-14H,6H2,1H3/t9-,10-,11-,12-,13+,14-,15?/m1/s1
InChIKey RNMVLZSEEGAZLR-IOBFWZEWSA-N
Mol Weight 277.34 g/mol
Molecular Formula C14H15NO3S
Exact Mass 277.077265 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 4GVfQXvgAsh
Name DL-(1.alpha.,2.beta.,4.beta.,5.beta.,7.beta.,8.beta.)-6-(4-methylphenylsulfonyl)-3-oxa-6-azatetracyclo[6.1.0.0(2,4).0(5,7)]nonane
CAS Registry Number 112419-24-6
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C14H15NO3S
InChI InChI=1S/C14H15NO3S/c1-7-2-4-8(5-3-7)19(16,17)15-11-9-6-10(9)13-14(18-13)12(11)15/h2-5,9-14H,6H2,1H3/t9-,10-,11-,12-,13+,14-,15?/m1/s1
InChIKey RNMVLZSEEGAZLR-IOBFWZEWSA-N
Molecular Weight 277.338 g/mol
SMILES [C@]12(N([C@@]1([C@]1([C@]([C@]3([C@@]2(O3)[H])[H])(C1)[H])[H])[H])S(c1ccc(cc1)C)(=O)=O)[H]
SPLASH splash10-00kf-9100000000-833c5104b294a84eef39
Source of Spectrum K-121-777-10
Synonyms (1R,2S,4R,5R,7R,8R)-6-[(4-methylphenyl)sulfonyl]-3-oxa-6-azatetracyclo[6.1.0.0(2,4).0(5,7)]nonane
Wiley ID 1280909