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5-Chloro-2-methoxy-N-(2-oxotetrahydro-3-thienyl)benzamide

View entire compound with spectra: 1 NMR, and 1 FTIR

5-Chloro-2-methoxy-N-(2-oxotetrahydro-3-thienyl)benzamide
SpectraBase Compound ID F8nqNYS4iFy
InChI InChI=1S/C12H12ClNO3S/c1-17-10-3-2-7(13)6-8(10)11(15)14-9-4-5-18-12(9)16/h2-3,6,9H,4-5H2,1H3,(H,14,15)
InChIKey APBKNBWKEVKFSM-UHFFFAOYSA-N
Mol Weight 285.75 g/mol
Molecular Formula C12H12ClNO3S
Exact Mass 285.022642 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID DyaFlhDF7p9
Name 5-Chloro-2-methoxy-N-(2-oxotetrahydro-3-thienyl)benzamide
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 285.022642121 u
Formula C12H12ClNO3S
InChI InChI=1S/C12H12ClNO3S/c1-17-10-3-2-7(13)6-8(10)11(15)14-9-4-5-18-12(9)16/h2-3,6,9H,4-5H2,1H3,(H,14,15)
InChIKey APBKNBWKEVKFSM-UHFFFAOYSA-N
SMILES C1SC(C(C1)NC(=O)C1=C(C=CC(=C1)Cl)OC)=O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.93378