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4-(4-chloro-2-methylphenoxy)-N-(6-ethoxy-1,3-benzothiazol-2-yl)butanamide

View entire compound with spectra: 2 NMR

4-(4-chloro-2-methylphenoxy)-N-(6-ethoxy-1,3-benzothiazol-2-yl)butanamide
SpectraBase Compound ID CM2rvVTnadZ
InChI InChI=1S/C20H21ClN2O3S/c1-3-25-15-7-8-16-18(12-15)27-20(22-16)23-19(24)5-4-10-26-17-9-6-14(21)11-13(17)2/h6-9,11-12H,3-5,10H2,1-2H3,(H,22,23,24)
InChIKey SROBRHQPNUGPOD-UHFFFAOYSA-N
Mol Weight 404.91 g/mol
Molecular Formula C20H21ClN2O3S
Exact Mass 404.096141 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID F3ochYfcRXS
Name 4-(4-Chloro-2-methylphenoxy)-N-(6-ethoxy-1,3-benzothiazol-2-yl)butanamide
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 404.096141415 u
Formula C20H21ClN2O3S
InChI InChI=1S/C20H21ClN2O3S/c1-3-25-15-7-8-16-18(12-15)27-20(22-16)23-19(24)5-4-10-26-17-9-6-14(21)11-13(17)2/h6-9,11-12H,3-5,10H2,1-2H3,(H,22,23,24)
InChIKey SROBRHQPNUGPOD-UHFFFAOYSA-N
Molecular Weight 404.912 g/mol
SMILES N(C1=NC=2C=CC(=CC2S1)OCC)C(=O)CCCOC=1C(=CC(=CC1)Cl)C