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endo-and exo-N-(Ethoxycarbonyl)-3-aza-7-(phenylsulfonyl)bicyclo[3.3.1]nonan-9-one
SpectraBase Compound ID 1c30L6qCquf
InChI InChI=1S/C17H21NO5S/c1-2-23-17(20)18-10-12-8-15(9-13(11-18)16(12)19)24(21,22)14-6-4-3-5-7-14/h3-7,12-13,15H,2,8-11H2,1H3/t12-,13-/m1/s1
InChIKey YHTCBJFZYPRXPM-CHWSQXEVSA-N
Mol Weight 351.42 g/mol
Molecular Formula C17H21NO5S
Exact Mass 351.114044 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID AU0AxJDdm3u
Name endo-and exo-N-(Ethoxycarbonyl)-3-aza-7-(phenylsulfonyl)bicyclo[3.3.1]nonan-9-one
Alternate Name(s) Ethyl 9-oxo-7-(phenylsulfonyl)-3-azabicyclo[3.3.1]nonane-3-carboxylate
CAS Registry Number 90838-41-8
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C17H21NO5S
InChI InChI=1S/C17H21NO5S/c1-2-23-17(20)18-10-12-8-15(9-13(11-18)16(12)19)24(21,22)14-6-4-3-5-7-14/h3-7,12-13,15H,2,8-11H2,1H3/t12-,13-/m1/s1
InChIKey YHTCBJFZYPRXPM-CHWSQXEVSA-N
Molecular Weight 351.417 g/mol
SMILES C1(S(=O)(=O)c2ccccc2)C[C@@]2(CN(C[C@@](C1)(C2=O)[H])C(=O)OCC)[H]
SPLASH splash10-0nmi-0069000000-26c21c473d64360dadd1
Source of Spectrum J-49-3138-0
Wiley ID 1342510