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(1S,3R,4R)-3-Benzylsulfanylmethyl-2-azabicyclo[2.2.1]heptane-2-carboxylic acid tert-butyl ester
SpectraBase Compound ID HixnSwF46G0
InChI InChI=1S/C19H27NO2S/c1-19(2,3)22-18(21)20-16-10-9-15(11-16)17(20)13-23-12-14-7-5-4-6-8-14/h4-8,15-17H,9-13H2,1-3H3/t15-,16+,17+/m1/s1
InChIKey PBGBOBXOJKRSPW-IKGGRYGDSA-N
Mol Weight 333.49 g/mol
Molecular Formula C19H27NO2S
Exact Mass 333.17625 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID dnw9mUIyhQ
Name (1S,3R,4R)-3-Benzylsulfanylmethyl-2-azabicyclo[2.2.1]heptane-2-carboxylic acid tert-butyl ester
Alternate Name(s) (1R,2R,4S)-2-[(phenylmethylthio)methyl]-3-azabicyclo[2.2.1]heptane-3-carboxylic acid tert-butyl ester tert-Butyl (1R,2R,4S)-2-(benzylsulfanylmethyl)-3-azabicyclo[2.2.1]heptane-3-carboxylate tert-Butyl (1R,2R,4S)-2-[(phenylmethylsulfanyl)methyl]-3-azabicyclo[2.2.1]heptane-3-carboxylate
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Formula C19H27NO2S
InChI InChI=1S/C19H27NO2S/c1-19(2,3)22-18(21)20-16-10-9-15(11-16)17(20)13-23-12-14-7-5-4-6-8-14/h4-8,15-17H,9-13H2,1-3H3/t15-,16+,17+/m1/s1
InChIKey PBGBOBXOJKRSPW-IKGGRYGDSA-N
Molecular Weight 333.490 g/mol
SMILES C(N1[C@@]2(C[C@]([C@@]1(CSCc1ccccc1)[H])(CC2)[H])[H])(OC(C)(C)C)=O
SPLASH splash10-001i-7339000000-b882b6561de0acf1a5f1
Source of Spectrum KC-1-361-4
Wiley ID 1577596