Debug Info

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FceEpQyNdp1
spectrumID
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FceEpQyNdp1
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Mass Spectrum (GC)
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(2S,3R)-2-Benzoyl-3-(4-phenylphenyl)-1-(4-toluenesulfonyl)aziridine
SpectraBase Compound ID IlBqeeyKsGj
InChI InChI=1S/C28H23NO3S/c1-20-12-18-25(19-13-20)33(31,32)29-26(27(29)28(30)24-10-6-3-7-11-24)23-16-14-22(15-17-23)21-8-4-2-5-9-21/h2-19,26-27H,1H3/t26-,27+,29?/m1/s1
InChIKey POMXOUIAKVTUED-QZIBZCQVSA-N
Mol Weight 453.56 g/mol
Molecular Formula C28H23NO3S
Exact Mass 453.139865 g/mol
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Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID FceEpQyNdp1
Name (2S,3R)-2-Benzoyl-3-(4-phenylphenyl)-1-(4-toluenesulfonyl)aziridine
Copyright Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved.
Formula C28H23NO3S
InChI InChI=1S/C28H23NO3S/c1-20-12-18-25(19-13-20)33(31,32)29-26(27(29)28(30)24-10-6-3-7-11-24)23-16-14-22(15-17-23)21-8-4-2-5-9-21/h2-19,26-27H,1H3/t26-,27+,29?/m1/s1
InChIKey POMXOUIAKVTUED-QZIBZCQVSA-N
Molecular Weight 453.556 g/mol
SMILES [C@]1(N([C@@]1(c1ccc(cc1)-c1ccccc1)[H])S(=O)(=O)c1ccc(cc1)C)(C(c1ccccc1)=O)[H]
SPLASH splash10-0a4i-3900100000-c06b8ec9010004ca37c8
Source of Spectrum KD-16-3729-7
Synonyms {(2S,3R)-3-[1,1'-biphenyl]-4-yl-1-[(4-methylphenyl)sulfonyl]aziridinyl}(phenyl)methanone
Wiley ID 1638031
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