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3-Oxa-8-azatricyclo[5.1.0.0(2,4)]octane, 6-chloro-8-(phenylsulfonyl)-, (1.alpha.,2.alpha.,4.alpha.,6.alpha.,7.alpha.)-(.+-.)-
SpectraBase Compound ID H54K7TvBmX0
InChI InChI=1S/C12H12ClNO3S/c13-8-6-9-12(17-9)11-10(8)14(11)18(15,16)7-4-2-1-3-5-7/h1-5,8-12H,6H2/t8-,9+,10+,11+,12-,14?/m1/s1
InChIKey MYRNAFZVSDPZLN-XUAMDZPTSA-N
Mol Weight 285.75 g/mol
Molecular Formula C12H12ClNO3S
Exact Mass 285.022642 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 9Zt5H7KyIpd
Name 3-Oxa-8-azatricyclo[5.1.0.0(2,4)]octane, 6-chloro-8-(phenylsulfonyl)-, (1.alpha.,2.alpha.,4.alpha.,6.alpha.,7.alpha.)-(.+-.)-
Alternate Name(s) (1S,2S,4S,6R,7R)-6-chloro-8-(phenylsulfonyl)-3-oxa-8-azatricyclo[5.1.0.0(2,4)]octane DL-(1.alpha.,2.alpha.,4.alpha.,6.beta.,7.alpha.)-6-chloro-8-(phenylsulfonyl)-3-oxa-8-azatricyclo[5.1.0.0(2,4)]octane
CAS Registry Number 87161-01-1
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H12ClNO3S
InChI InChI=1S/C12H12ClNO3S/c13-8-6-9-12(17-9)11-10(8)14(11)18(15,16)7-4-2-1-3-5-7/h1-5,8-12H,6H2/t8-,9+,10+,11+,12-,14?/m1/s1
InChIKey MYRNAFZVSDPZLN-XUAMDZPTSA-N
Molecular Weight 285.745 g/mol
SMILES [C@@]12(N([C@]1([C@@](C[C@@]1(O[C@@]21[H])[H])(Cl)[H])[H])S(=O)(=O)c1ccccc1)[H]
SPLASH splash10-004i-9310000000-ff8c86a385bf07c95bb9
Source of Spectrum K-116-2510-0
Wiley ID 1288729