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N-(1-Benzyl-3-chloro-2-oxopropyl)-4-iodobenzenesulfonamide

View entire compound with spectra: 1 NMR, and 2 MS (GC)

N-(1-Benzyl-3-chloro-2-oxopropyl)-4-iodobenzenesulfonamide
SpectraBase Compound ID K9QLIYBbkpR
InChI InChI=1S/C16H15ClINO3S/c17-11-16(20)15(10-12-4-2-1-3-5-12)19-23(21,22)14-8-6-13(18)7-9-14/h1-9,15,19H,10-11H2
InChIKey ZXFIZYHUPADEHP-UHFFFAOYSA-N
Mol Weight 463.72 g/mol
Molecular Formula C16H15ClINO3S
Exact Mass 462.950587 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 7VsBUgUfZri
Name N-(1-Benzyl-3-chloro-2-oxopropyl)-4-iodobenzenesulfonamide
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 462.950587218 u
Formula C16H15ClINO3S
InChI InChI=1S/C16H15ClINO3S/c17-11-16(20)15(10-12-4-2-1-3-5-12)19-23(21,22)14-8-6-13(18)7-9-14/h1-9,15,19H,10-11H2
InChIKey ZXFIZYHUPADEHP-UHFFFAOYSA-N
Molecular Weight 463.717 g/mol
SMILES C1(I)=CC=C(S(=O)(NC(CC2=CC=CC=C2)C(=O)CCl)=O)C=C1