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Piperonal
SpectraBase Compound ID 3K8Y8seysaz
InChI InChI=1S/C8H6O3/c9-4-6-1-2-7-8(3-6)11-5-10-7/h1-4H,5H2
InChIKey SATCULPHIDQDRE-UHFFFAOYSA-N
Mol Weight 150.13 g/mol
Molecular Formula C8H6O3
Exact Mass 150.031694 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 5tmYzYkIE0a
Name MDA precursor-1 (piperonal) @
CAS Registry Number 120-57-0
Classification Chemical
Copyright Copyright © 2023-2024 Wiley-VCH GmbH. All Rights Reserved.
Exact Mass 150.031694050 u
Formula C8H6O3
InChI InChI=1S/C8H6O3/c9-4-6-1-2-7-8(3-6)11-5-10-7/h1-4H,5H2
InChIKey SATCULPHIDQDRE-UHFFFAOYSA-N
Ionization Type Electron Ionization (EI)
Molecular Weight 150.133 g/mol
SMILES c1c2c(cc(C=O)c1)OCO2
SPLASH splash10-0gvk-7900000000-da24cde7b2e46eeb9b3e
Sample Comments The MMPW Reference Handbook and associated Tables are attached to Record #1, under the Attachments tab. Refer to these references for an explanation of the Sample Preparation Procedure "Detected" abbreviations, as well as other relevant information pertaining to this database.
Source of Spectrum H.H.Maurer, M.Meyer, K.Pfleger, A.A. Weber / University of Saarland, D-66424 Homburg Germany
Synonyms BDB precursor (piperonal) MBDB precursor (piperonal) MDEA precursor-1 (piperonal) MDMA precursor-1 (piperonal)
Technique GC/MS
Wiley ID MMPW6e_3275