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Trans-(3-oxo-3-p-tolylpropenyl)trimethylammonium chloride

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

Trans-(3-oxo-3-p-tolylpropenyl)trimethylammonium chloride
SpectraBase Compound ID L2u2ONK5P4I
InChI InChI=1S/C13H18NO.ClH/c1-11-5-7-12(8-6-11)13(15)9-10-14(2,3)4;/h5-10H,1-4H3;1H/q+1;/p-1/b10-9+;
InChIKey BUPNDJAWHDXUNK-RRABGKBLSA-M
Mol Weight 239.75 g/mol
Molecular Formula C13H18ClNO
Exact Mass 239.107692 g/mol

Raman Spectrum

Raman Spectrum

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SpectraBase Spectrum ID EJJDCBavdeE
Name Trans-(3-oxo-3-p-tolylpropenyl)trimethylammonium chloride
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 239.107691903 u
Formula C13H18ClNO
InChI InChI=1S/C13H18NO.ClH/c1-11-5-7-12(8-6-11)13(15)9-10-14(2,3)4;/h5-10H,1-4H3;1H/q+1;/p-1/b10-9+;
InChIKey BUPNDJAWHDXUNK-RRABGKBLSA-M
Molecular Weight 239.746 g/mol
SMILES [Cl-].C=1C=C(C=CC1C)C(\C=C\[N+](C)(C)C)=O
Spectrum/Structure Validation Score (Raman) 0.980954