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3(2H)-Benzothiazoleacetamide, N-(2,6-diethylphenyl)-2-oxo-
SpectraBase Compound ID 8lbcb82WyHQ
InChI InChI=1S/C19H20N2O2S/c1-3-13-8-7-9-14(4-2)18(13)20-17(22)12-21-15-10-5-6-11-16(15)24-19(21)23/h5-11H,3-4,12H2,1-2H3,(H,20,22)
InChIKey VFJQKBFRFPUPIB-UHFFFAOYSA-N
Mol Weight 340.44 g/mol
Molecular Formula C19H20N2O2S
Exact Mass 340.124549 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID EFvBkhB4EeU
Name 3(2H)-Benzothiazoleacetamide, N-(2,6-diethylphenyl)-2-oxo-
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 340.124549064 u
Formula C19H20N2O2S
InChI InChI=1S/C19H20N2O2S/c1-3-13-8-7-9-14(4-2)18(13)20-17(22)12-21-15-10-5-6-11-16(15)24-19(21)23/h5-11H,3-4,12H2,1-2H3,(H,20,22)
InChIKey VFJQKBFRFPUPIB-UHFFFAOYSA-N
Molecular Weight 340.441 g/mol
SMILES C=1C=CC=2N(C(SC2C1)=O)CC(NC=1C(=CC=CC1CC)CC)=O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.937638