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N-(7-oxo-1,3,5-cycloheptatrien-1-yl)-1-piperidineacetamide, hydrochloride

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

N-(7-oxo-1,3,5-cycloheptatrien-1-yl)-1-piperidineacetamide, hydrochloride
SpectraBase Compound ID 5bVho4fstce
InChI InChI=1S/C14H18N2O2.ClH/c17-13-8-4-1-3-7-12(13)15-14(18)11-16-9-5-2-6-10-16;/h1,3-4,7-8H,2,5-6,9-11H2,(H,15,17,18);1H
InChIKey HVOCNZRNEOAMSV-UHFFFAOYSA-N
Mol Weight 282.77 g/mol
Molecular Formula C14H19ClN2O2
Exact Mass 282.113506 g/mol

Raman Spectrum

Raman Spectrum

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SpectraBase Spectrum ID 7KNrusg3b6N
Name N-(7-oxo-1,3,5-Cycloheptatrien-1-yl)-1-piperidineacetamide, hydrochloride
Comments Computed using SmartSpectra Model v1.42
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Exact Mass 282.113505558 u
Formula C14H19ClN2O2
InChI InChI=1S/C14H18N2O2.ClH/c17-13-8-4-1-3-7-12(13)15-14(18)11-16-9-5-2-6-10-16;/h1,3-4,7-8H,2,5-6,9-11H2,(H,15,17,18);1H
InChIKey HVOCNZRNEOAMSV-UHFFFAOYSA-N
Molecular Weight 282.771 g/mol
SMILES Cl.N(C=1C(C=CC=CC1)=O)C(CN1CCCCC1)=O
Spectrum/Structure Validation Score (Raman) 0.857845