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(2S,3S)-3-exo-[(S)-S-Methyl-S-phenylsulfoximidoyl)bicyclo[2.2.1]heptane-2-endo-carboxylic acid methyl ester
SpectraBase Compound ID 1F7Y1OOlsq0
InChI InChI=1S/C17H21NO4S/c1-22-17(20)15-12-9-8-11(10-12)14(15)16(19)18-23(2,21)13-6-4-3-5-7-13/h3-7,11-12,14-15H,8-10H2,1-2H3/t11-,12+,14-,15+,23-/m0/s1
InChIKey DUTPRIURHDHVKD-FXQVHSFQSA-N
Mol Weight 335.42 g/mol
Molecular Formula C17H21NO4S
Exact Mass 335.119129 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID LK7J8Jq2V3f
Name (2S,3S)-3-exo-[(S)-S-Methyl-S-phenylsulfoximidoyl)bicyclo[2.2.1]heptane-2-endo-carboxylic acid methyl ester
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C17H21NO4S
InChI InChI=1S/C17H21NO4S/c1-22-17(20)15-12-9-8-11(10-12)14(15)16(19)18-23(2,21)13-6-4-3-5-7-13/h3-7,11-12,14-15H,8-10H2,1-2H3/t11-,12+,14-,15+,23-/m0/s1
InChIKey DUTPRIURHDHVKD-FXQVHSFQSA-N
Molecular Weight 335.418 g/mol
SMILES C(N=[S@@](=O)(c1ccccc1)C)([C@@]1([C@@]([C@]2(C[C@@]1(CC2)[H])[H])(C(=O)OC)[H])[H])=O
SPLASH splash10-001i-0901000000-5e0aea61ee49d7d79c88
Source of Spectrum QF-10-2950-10
Wiley ID 1559551