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N-(2-Bromobenzyl)-N-[(4-methylphenylsulfonyl]glycinate

View entire compound with spectra: 1 MS (GC)

N-(2-Bromobenzyl)-N-[(4-methylphenylsulfonyl]glycinate
SpectraBase Compound ID 8DlNDFQfaKv
InChI InChI=1S/C16H16BrNO4S/c1-12-6-8-14(9-7-12)23(21,22)18(11-16(19)20)10-13-4-2-3-5-15(13)17/h2-9H,10-11H2,1H3,(H,19,20)
InChIKey MWFMKSGDGDBCLH-UHFFFAOYSA-N
Mol Weight 398.27 g/mol
Molecular Formula C16H16BrNO4S
Exact Mass 396.998342 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 8EUyJpXKM5Y
Name N-(2-Bromobenzyl)-N-[(4-methylphenylsulfonyl]glycinate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H16BrNO4S
InChI InChI=1S/C16H16BrNO4S/c1-12-6-8-14(9-7-12)23(21,22)18(11-16(19)20)10-13-4-2-3-5-15(13)17/h2-9H,10-11H2,1H3,(H,19,20)
InChIKey MWFMKSGDGDBCLH-UHFFFAOYSA-N
Molecular Weight 398.271 g/mol
SMILES OC(CN(S(c1ccc(cc1)C)(=O)=O)Cc1c(Br)cccc1)=O
SPLASH splash10-00kf-9831000000-86c39e368c3245314428
Source of Spectrum KC-61-8284-4
Wiley ID 1630254