Debug Info

object
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_id
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5autEMmodkh
spectrumID
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5autEMmodkh
cost
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specType
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analyticalTechnique
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MS (GC)
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Mass Spectrum (GC)
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(2S,3R)-2-(4-Bromobenzoyl)-3-phenyl-1-(4-toluenesulfonyl)aziridine
SpectraBase Compound ID EoflW7e7aTC
InChI InChI=1S/C22H18BrNO3S/c1-15-7-13-19(14-8-15)28(26,27)24-20(16-5-3-2-4-6-16)21(24)22(25)17-9-11-18(23)12-10-17/h2-14,20-21H,1H3/t20-,21+,24?/m1/s1
InChIKey QHFQVIHTLJHERS-JBAPTLGWSA-N
Mol Weight 456.35 g/mol
Molecular Formula C22H18BrNO3S
Exact Mass 455.019078 g/mol
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Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 5autEMmodkh
Name (2S,3R)-2-(4-Bromobenzoyl)-3-phenyl-1-(4-toluenesulfonyl)aziridine
Copyright Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved.
Formula C22H18BrNO3S
InChI InChI=1S/C22H18BrNO3S/c1-15-7-13-19(14-8-15)28(26,27)24-20(16-5-3-2-4-6-16)21(24)22(25)17-9-11-18(23)12-10-17/h2-14,20-21H,1H3/t20-,21+,24?/m1/s1
InChIKey QHFQVIHTLJHERS-JBAPTLGWSA-N
Molecular Weight 456.354 g/mol
SMILES [C@]1(N([C@@]1(c1ccccc1)[H])S(=O)(=O)c1ccc(cc1)C)(C(c1ccc(cc1)Br)=O)[H]
SPLASH splash10-0540-0900200000-76a615e080d78bad04ba
Source of Spectrum KD-16-3730-7
Synonyms (4-bromophenyl){(2S,3R)-1-[(4-methylphenyl)sulfonyl]-3-phenylaziridinyl}methanone
Wiley ID 1638024
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