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(1R*,5R*,6S*)-1,8-Dimethyl-3-methoxy-6-exo-(phenylsulfonyl)-8-azabicyclo[3.2.1]oct-3-en-2-one
SpectraBase Compound ID CVLnOCkguvC
InChI InChI=1S/C16H19NO4S/c1-16-10-14(22(19,20)11-7-5-4-6-8-11)12(17(16)2)9-13(21-3)15(16)18/h4-9,12,14H,10H2,1-3H3/t12-,14+,16-/m1/s1
InChIKey CLGUIVFHDXTVDV-IVMMDQJWSA-N
Mol Weight 321.39 g/mol
Molecular Formula C16H19NO4S
Exact Mass 321.103479 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID DqBz7ERmlu2
Name (1R*,5R*,6S*)-1,8-Dimethyl-3-methoxy-6-exo-(phenylsulfonyl)-8-azabicyclo[3.2.1]oct-3-en-2-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H19NO4S
InChI InChI=1S/C16H19NO4S/c1-16-10-14(22(19,20)11-7-5-4-6-8-11)12(17(16)2)9-13(21-3)15(16)18/h4-9,12,14H,10H2,1-3H3/t12-,14+,16-/m1/s1
InChIKey CLGUIVFHDXTVDV-IVMMDQJWSA-N
Molecular Weight 321.391 g/mol
SMILES [C@]1(S(=O)(=O)c2ccccc2)([C@@]2(N(C)[C@](C1)(C(=O)C(=C2)OC)C)[H])[H]
SPLASH splash10-002r-3900000000-d58b2a9c4c4d58adb5c4
Source of Spectrum J-61-6118-18
Synonyms (1R,5R,6S)-3-methoxy-1,8-dimethyl-6-(phenylsulfonyl)-8-azabicyclo[3.2.1]oct-3-en-2-one
Wiley ID 1320837