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4-Chloro-6'-isopropyl-o-benzotuidide

View entire compound with spectra: 2 NMR, 1 FTIR, 1 Raman, and 1 UV-Vis

4-Chloro-6'-isopropyl-o-benzotuidide
SpectraBase Compound ID IByNTs9xEHT
InChI InChI=1S/C17H18ClNO/c1-11(2)15-6-4-5-12(3)16(15)19-17(20)13-7-9-14(18)10-8-13/h4-11H,1-3H3,(H,19,20)
InChIKey TWROPWKHLFUMNH-UHFFFAOYSA-N
Mol Weight 287.79 g/mol
Molecular Formula C17H18ClNO
Exact Mass 287.107692 g/mol

Raman Spectrum

Raman Spectrum

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SpectraBase Spectrum ID K7OBQAcZdMe
Name 4-Chloro-6'-isopropyl-o-benzotuidide
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 287.107691903 u
Formula C17H18ClNO
InChI InChI=1S/C17H18ClNO/c1-11(2)15-6-4-5-12(3)16(15)19-17(20)13-7-9-14(18)10-8-13/h4-11H,1-3H3,(H,19,20)
InChIKey TWROPWKHLFUMNH-UHFFFAOYSA-N
Molecular Weight 287.790 g/mol
SMILES N(C(C1=CC=C(C=C1)Cl)=O)C=1C(=CC=CC1C)C(C)C
Spectrum/Structure Validation Score (Raman) 0.919571