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Ethyl (1S,3S,4R,S(s))-2-(p-tolylsulfinyl)-2-azabicyclo[2.2.1]hept-5-ene-3-carboxylate
SpectraBase Compound ID Khi4l2XfORA
InChI InChI=1S/C16H19NO3S/c1-3-20-16(18)15-12-6-7-13(10-12)17(15)21(19)14-8-4-11(2)5-9-14/h4-9,12-13,15H,3,10H2,1-2H3/t12-,13+,15-,21?/m0/s1
InChIKey AARNLTSCKQLUAZ-CXILFBOISA-N
Mol Weight 305.39 g/mol
Molecular Formula C16H19NO3S
Exact Mass 305.108565 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID A0TmDDXhOTq
Name Ethyl (1S,3S,4R,S(s))-2-(p-tolylsulfinyl)-2-azabicyclo[2.2.1]hept-5-ene-3-carboxylate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H19NO3S
InChI InChI=1S/C16H19NO3S/c1-3-20-16(18)15-12-6-7-13(10-12)17(15)21(19)14-8-4-11(2)5-9-14/h4-9,12-13,15H,3,10H2,1-2H3/t12-,13+,15-,21?/m0/s1
InChIKey AARNLTSCKQLUAZ-CXILFBOISA-N
Molecular Weight 305.392 g/mol
SMILES c1(S(N2[C@@]([C@]3([H])C[C@]2(C=C3)[H])(C(=O)OCC)[H])=O)ccc(cc1)C
SPLASH splash10-0076-6910000000-436b12fa6497a18aa634
Source of Spectrum F-65-2815-4g
Wiley ID 1681228