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(1S,3R,4R)-3-Benzylsulfinylmethyl-2-azabicyclo[2.2.1]heptane-2-carboxylic acid tert-butyl ester
SpectraBase Compound ID DUIHXHRvvYf
InChI InChI=1S/C19H27NO3S/c1-19(2,3)23-18(21)20-16-10-9-15(11-16)17(20)13-24(22)12-14-7-5-4-6-8-14/h4-8,15-17H,9-13H2,1-3H3/t15-,16+,17+,24?/m1/s1
InChIKey MSTMKUMHDSWODJ-BWDOMIEYSA-N
Mol Weight 349.49 g/mol
Molecular Formula C19H27NO3S
Exact Mass 349.171165 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID J7b2BiU0gmZ
Name (1S,3R,4R)-3-Benzylsulfinylmethyl-2-azabicyclo[2.2.1]heptane-2-carboxylic acid tert-butyl ester
Alternate Name(s) (1S,3R,4R)-3-Benzylsulfanylmethyl-2-azabicyclo[2.2.1]heptane-2-carboxylic acid tert-butyl ester tert-Butyl (1S,3R,4R)-3-[(benzylsulfinyl)methyl]-2-azabicyclo[2.2.1]heptane-2-carboxylate
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Formula C19H27NO3S
InChI InChI=1S/C19H27NO3S/c1-19(2,3)23-18(21)20-16-10-9-15(11-16)17(20)13-24(22)12-14-7-5-4-6-8-14/h4-8,15-17H,9-13H2,1-3H3/t15-,16+,17+,24?/m1/s1
InChIKey MSTMKUMHDSWODJ-BWDOMIEYSA-N
Molecular Weight 349.489 g/mol
SMILES C(N1[C@]([C@@]2([H])C[C@@]1(CC2)[H])(CS(=O)Cc1ccccc1)[H])(OC(C)(C)C)=O
SPLASH splash10-0f6x-9584000000-2f5e50cfac39e6c2fdc4
Source of Spectrum KC-1-361-6
Wiley ID 1577594