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6-Bromo-3-methyl-3-piperidino-4-chromanone, hydrochloride

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

6-Bromo-3-methyl-3-piperidino-4-chromanone, hydrochloride
SpectraBase Compound ID BMvjwEEsf7e
InChI InChI=1S/C15H18BrNO2.ClH/c1-15(17-7-3-2-4-8-17)10-19-13-6-5-11(16)9-12(13)14(15)18;/h5-6,9H,2-4,7-8,10H2,1H3;1H
InChIKey DIZOHDFFKKVEBP-UHFFFAOYSA-N
Mol Weight 360.68 g/mol
Molecular Formula C15H19BrClNO2
Exact Mass 359.02877 g/mol

Raman Spectrum

Raman Spectrum

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SpectraBase Spectrum ID GsldToGVTYV
Name 6-Bromo-3-methyl-3-piperidino-4-chromanone, hydrochloride
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 359.028769554 u
Formula C15H19BrClNO2
InChI InChI=1S/C15H18BrNO2.ClH/c1-15(17-7-3-2-4-8-17)10-19-13-6-5-11(16)9-12(13)14(15)18;/h5-6,9H,2-4,7-8,10H2,1H3;1H
InChIKey DIZOHDFFKKVEBP-UHFFFAOYSA-N
Molecular Weight 360.679 g/mol
SMILES C=12C=C(C=CC1OCC(C2=O)(N1CCCCC1)C)Br.Cl
Spectrum/Structure Validation Score (Raman) 0.796173