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2-Methoxy-4,5-methylenedioxybenzaldehyde
SpectraBase Compound ID BqYIqK6Q1F
InChI InChI=1S/C9H8O4/c1-11-7-3-9-8(12-5-13-9)2-6(7)4-10/h2-4H,5H2,1H3
InChIKey NCIYDDIPUGCVKX-UHFFFAOYSA-N
Mol Weight 180.16 g/mol
Molecular Formula C9H8O4
Exact Mass 180.042259 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2kqtOn6bohs
Name 2-Methoxy-4,5-methylenedioxybenzaldehyde
CAS Registry Number 5780-00-7
Classification Designer drug precursor
Copyright Copyright © 2024 DigiLab GmbH and Wiley-VCH GmbH. All Rights Reserved.
Exact Mass 180.042258734 u
Formula C9H8O4
InChI InChI=1S/C9H8O4/c1-11-7-3-9-8(12-5-13-9)2-6(7)4-10/h2-4H,5H2,1H3
InChIKey NCIYDDIPUGCVKX-UHFFFAOYSA-N
Ionization Type Electron Ionization (EI)
Molecular Weight 180.159 g/mol
Nominal Mass 180 u
Quality 987
Retention Index 1376
SMILES C1(=C(C=C2C(=C1)OCO2)OC)C=O
SPLASH splash10-001i-3900000000-5b5e0fe101ca5facaff5
Source of Spectrum DigiLab GmbH (C) 2024
Synonyms 6-methoxy-1,3-benzodioxole-5-carbaldehyde
Technique GC/MS
Wiley ID DD2024_002000