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6'-Chloro-o-hexadecanotoluidide

View entire compound with spectra: 3 NMR, 1 FTIR, and 1 Raman

6'-Chloro-o-hexadecanotoluidide
SpectraBase Compound ID 939XcSNHarZ
InChI InChI=1S/C23H38ClNO/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-19-22(26)25-23-20(2)17-16-18-21(23)24/h16-18H,3-15,19H2,1-2H3,(H,25,26)
InChIKey YFEOJMIWHAOAJB-UHFFFAOYSA-N
Mol Weight 380.0 g/mol
Molecular Formula C23H38ClNO
Exact Mass 379.264193 g/mol

Raman Spectrum

Raman Spectrum

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SpectraBase Spectrum ID 4foxXb9N1FG
Name 6'-Chloro-o-hexadecanotoluidide
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 379.264192547 u
Formula C23H38ClNO
InChI InChI=1S/C23H38ClNO/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-19-22(26)25-23-20(2)17-16-18-21(23)24/h16-18H,3-15,19H2,1-2H3,(H,25,26)
InChIKey YFEOJMIWHAOAJB-UHFFFAOYSA-N
Molecular Weight 380.016 g/mol
SMILES N(C1=C(C=CC=C1Cl)C)C(CCCCCCCCCCCCCCC)=O
Spectrum/Structure Validation Score (Raman) 0.960046