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Trans-[3-(p-iodophenyl)-3-oxopropenyl]trimethylammonium chloride

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

Trans-[3-(p-iodophenyl)-3-oxopropenyl]trimethylammonium chloride
SpectraBase Compound ID 7nUbhVK2Gaq
InChI InChI=1S/C12H15INO.ClH/c1-14(2,3)9-8-12(15)10-4-6-11(13)7-5-10;/h4-9H,1-3H3;1H/q+1;/p-1/b9-8+;
InChIKey LMHRTKJCMRORGG-HRNDJLQDSA-M
Mol Weight 351.62 g/mol
Molecular Formula C12H15ClINO
Exact Mass 350.988687 g/mol

Raman Spectrum

Raman Spectrum

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SpectraBase Spectrum ID FBIryY8INYX
Name Trans-[3-(p-iodophenyl)-3-oxopropenyl]trimethylammonium chloride
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 350.988686806 u
Formula C12H15ClINO
InChI InChI=1S/C12H15INO.ClH/c1-14(2,3)9-8-12(15)10-4-6-11(13)7-5-10;/h4-9H,1-3H3;1H/q+1;/p-1/b9-8+;
InChIKey LMHRTKJCMRORGG-HRNDJLQDSA-M
Molecular Weight 351.615 g/mol
SMILES [Cl-].C=1C=C(C=CC1I)C(\C=C\[N+](C)(C)C)=O
Spectrum/Structure Validation Score (Raman) 0.940932