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N-Methoxycarbonyl-2-endo-(phenylsulfonyl)-4-exo-(tert-butylamino)-8-azabicyclo[3.2.1]octan-3-one
SpectraBase Compound ID HdTcADCpIrL
InChI InChI=1S/C19H26N2O3S/c1-19(2,3)20-15-13-10-11-14(21(13)18(23)24-4)17(16(15)22)25-12-8-6-5-7-9-12/h5-9,13-15,17,20H,10-11H2,1-4H3/t13-,14+,15-,17-/m0/s1
InChIKey FCVGJPRBMKDCNQ-IVSAIRAKSA-N
Mol Weight 362.49 g/mol
Molecular Formula C19H26N2O3S
Exact Mass 362.166414 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID I7AKs6ZgJBn
Name N-Methoxycarbonyl-2-endo-(phenylsulfonyl)-4-exo-(tert-butylamino)-8-azabicyclo[3.2.1]octan-3-one
Alternate Name(s) (1S,2S,4S,5R)-2-tert-Butylamino-3-oxo-4-phenylsulfanyl-8-aza-bicyclo[3.2.1]octane-8-carboxylic acid methyl ester
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C19H26N2O3S
InChI InChI=1S/C19H26N2O3S/c1-19(2,3)20-15-13-10-11-14(21(13)18(23)24-4)17(16(15)22)25-12-8-6-5-7-9-12/h5-9,13-15,17,20H,10-11H2,1-4H3/t13-,14+,15-,17-/m0/s1
InChIKey FCVGJPRBMKDCNQ-IVSAIRAKSA-N
Molecular Weight 362.488 g/mol
SMILES N([C@]1([C@]2(N([C@@]([C@@](C1=O)(Sc1ccccc1)[H])(CC2)[H])C(=O)OC)[H])[H])C(C)(C)C
SPLASH splash10-0fi0-0991000000-f212f870459c77ff4bde
Source of Spectrum KC-0-3694-17
Wiley ID 826963