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N-Methoxycarbonyl-2-exo-chloro-2-endo-(phenylsulfanyl)-8-azabicyclo[3.2.1]octan-3-one
SpectraBase Compound ID 62MLEPyQs8X
InChI InChI=1S/C15H16ClNO3S/c1-20-14(19)17-10-7-8-12(17)15(16,13(18)9-10)21-11-5-3-2-4-6-11/h2-6,10,12H,7-9H2,1H3/t10-,12+,15?/m1/s1
InChIKey BYIGPTZGPMCZPW-QEQOOXKLSA-N
Mol Weight 325.81 g/mol
Molecular Formula C15H16ClNO3S
Exact Mass 325.053942 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 6IzfLKQwUoC
Name N-Methoxycarbonyl-2-exo-chloro-2-endo-(phenylsulfanyl)-8-azabicyclo[3.2.1]octan-3-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C15H16ClNO3S
InChI InChI=1S/C15H16ClNO3S/c1-20-14(19)17-10-7-8-12(17)15(16,13(18)9-10)21-11-5-3-2-4-6-11/h2-6,10,12H,7-9H2,1H3/t10-,12+,15?/m1/s1
InChIKey BYIGPTZGPMCZPW-QEQOOXKLSA-N
Molecular Weight 325.810 g/mol
SMILES C1([C@]2(N(C(=O)OC)[C@@](CC1=O)(CC2)[H])[H])(Sc1ccccc1)Cl
SPLASH splash10-004i-0911000000-8b94387f3d8f5bf271f6
Source of Spectrum KC-0-3693-15
Synonyms Methyl 2-chloro-3-oxo-2-(phenylsulfanyl)-8-azabicyclo[3.2.1]octane-8-carboxylate
Wiley ID 826965