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N-{[4-(2-chlorophenoxy)phenyl]sulfonyl}(methyl)homocysteine
SpectraBase Compound ID 6Zj6lLycuI4
InChI InChI=1S/C17H18ClNO5S2/c1-25-11-10-15(17(20)21)19-26(22,23)13-8-6-12(7-9-13)24-16-5-3-2-4-14(16)18/h2-9,15,19H,10-11H2,1H3,(H,20,21)
InChIKey VVLBKESFOSFQRN-UHFFFAOYSA-N
Mol Weight 415.91 g/mol
Molecular Formula C17H18ClNO5S2
Exact Mass 415.031493 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID HQSiZoz7kWH
Name N-{[4-(2-chlorophenoxy)phenyl]sulfonyl}(methyl)homocysteine
Copyright Copyright © 2022-2024 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2022-2024 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 415.031492727 u
Formula C17H18ClNO5S2
InChI InChI=1S/C17H18ClNO5S2/c1-25-11-10-15(17(20)21)19-26(22,23)13-8-6-12(7-9-13)24-16-5-3-2-4-14(16)18/h2-9,15,19H,10-11H2,1H3,(H,20,21)
InChIKey VVLBKESFOSFQRN-UHFFFAOYSA-N
Molecular Weight 415.906 g/mol
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Sample State Soluted
Sample_ID 1H_CB_2020_2673
Solvent DMSO-d6
Source Vendor ID: NMR/12279778