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3,4-Methylenedioxyhexanophenone
SpectraBase Compound ID 73uwaD1jXbo
InChI InChI=1S/C13H16O3/c1-2-3-4-5-11(14)10-6-7-12-13(8-10)16-9-15-12/h6-8H,2-5,9H2,1H3
InChIKey PCYIIHKPPDXSIE-UHFFFAOYSA-N
Mol Weight 220.27 g/mol
Molecular Formula C13H16O3
Exact Mass 220.109944 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID DklKDI8nVR2
Name 3,4-Methylenedioxyhexanophenone
Classification Designer drug precursor
Copyright Copyright © 2024 DigiLab GmbH and Wiley-VCH GmbH. All Rights Reserved.
Exact Mass 220.109944372 u
Formula C13H16O3
InChI InChI=1S/C13H16O3/c1-2-3-4-5-11(14)10-6-7-12-13(8-10)16-9-15-12/h6-8H,2-5,9H2,1H3
InChIKey PCYIIHKPPDXSIE-UHFFFAOYSA-N
Ionization Type Electron Ionization (EI)
Molecular Weight 220.268 g/mol
Nominal Mass 220 u
Quality 832
Retention Index 1808
SMILES C1=2C(=CC=C(C2)C(CCCCC)=O)OCO1
SPLASH splash10-03dj-1900000000-7784367f7fe0a789eeb1
Source of Spectrum DigiLab GmbH (C) 2024
Synonyms 1-(2H-1,3-Benzodioxol-5-yl)hexan-1-one
Technique GC/MS
Wiley ID DD2024_024235