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N-{4-[(acetylamino)sulfonyl]phenyl}-4-(4-chloro-2-methylphenoxy)butanamide
SpectraBase Compound ID GIVDPZJ2qSZ
InChI InChI=1S/C19H21ClN2O5S/c1-13-12-15(20)5-10-18(13)27-11-3-4-19(24)21-16-6-8-17(9-7-16)28(25,26)22-14(2)23/h5-10,12H,3-4,11H2,1-2H3,(H,21,24)(H,22,23)
InChIKey CFFXMYRVSCXAAR-UHFFFAOYSA-N
Mol Weight 424.9 g/mol
Molecular Formula C19H21ClN2O5S
Exact Mass 424.085971 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 8SCwzoKMp4u
Name N-{4-[(Acetylamino)sulfonyl]phenyl}-4-(4-chloro-2-methylphenoxy)butanamide
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 424.085970653 u
Formula C19H21ClN2O5S
InChI InChI=1S/C19H21ClN2O5S/c1-13-12-15(20)5-10-18(13)27-11-3-4-19(24)21-16-6-8-17(9-7-16)28(25,26)22-14(2)23/h5-10,12H,3-4,11H2,1-2H3,(H,21,24)(H,22,23)
InChIKey CFFXMYRVSCXAAR-UHFFFAOYSA-N
Molecular Weight 424.899 g/mol
SMILES N(C(=O)CCCOC=1C(=CC(=CC1)Cl)C)C=1C=CC(S(NC(=O)C)(=O)=O)=CC1