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cis,cis-2'-Chloro-9,12-octadecadieno-p-toluidide

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

cis,cis-2'-Chloro-9,12-octadecadieno-p-toluidide
SpectraBase Compound ID HtHYct0LohO
InChI InChI=1S/C25H38ClNO/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-25(28)27-24-20-19-22(2)21-23(24)26/h7-8,10-11,19-21H,3-6,9,12-18H2,1-2H3,(H,27,28)/b8-7-,11-10-
InChIKey JRNILPZPVFQLJM-NQLNTKRDSA-N
Mol Weight 404.0 g/mol
Molecular Formula C25H38ClNO
Exact Mass 403.264193 g/mol

Raman Spectrum

Raman Spectrum

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SpectraBase Spectrum ID JL2PzgIL1zG
Name cis,cis-2'-Chloro-9,12-octadecadieno-p-toluidide
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 403.264192547 u
Formula C25H38ClNO
InChI InChI=1S/C25H38ClNO/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-25(28)27-24-20-19-22(2)21-23(24)26/h7-8,10-11,19-21H,3-6,9,12-18H2,1-2H3,(H,27,28)/b8-7-,11-10-
InChIKey JRNILPZPVFQLJM-NQLNTKRDSA-N
Molecular Weight 404.038 g/mol
SMILES N(C1=C(C=C(C=C1)C)Cl)C(CCCCCCC\C=C/C\C=C/CCCCC)=O
Spectrum/Structure Validation Score (Raman) 0.942246