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3,4-Methylenedioxypyrovalerone hydrochloride

View entire compound with spectra: 1 Raman

3,4-Methylenedioxypyrovalerone hydrochloride
SpectraBase Compound ID ASpNvSO3Kgy
InChI InChI=1S/C16H21NO3.ClH/c1-2-5-13(17-8-3-4-9-17)16(18)12-6-7-14-15(10-12)20-11-19-14;/h6-7,10,13H,2-5,8-9,11H2,1H3;1H
InChIKey PYQZNWFQAMFAMT-UHFFFAOYSA-N
Mol Weight 311.81 g/mol
Molecular Formula C16H22ClNO3
Exact Mass 311.128821 g/mol

Raman Spectrum

Raman Spectrum

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SpectraBase Spectrum ID 6RsdOLvwbpx
Name 3,4-Methylenedioxypyrovalerone hydrochloride
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 311.128821269 u
Formula C16H22ClNO3
InChI InChI=1S/C16H21NO3.ClH/c1-2-5-13(17-8-3-4-9-17)16(18)12-6-7-14-15(10-12)20-11-19-14;/h6-7,10,13H,2-5,8-9,11H2,1H3;1H
InChIKey PYQZNWFQAMFAMT-UHFFFAOYSA-N
Molecular Weight 311.809 g/mol
SMILES Cl.C=12C=C(C=CC1OCO2)C(C(CCC)N1CCCC1)=O
Spectrum/Structure Validation Score (Raman) 0.980436