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Protocatechualdehyde
SpectraBase Compound ID BMq0mg12o9t
InChI InChI=1S/C7H6O3/c8-4-5-1-2-6(9)7(10)3-5/h1-4,9-10H
InChIKey IBGBGRVKPALMCQ-UHFFFAOYSA-N
Mol Weight 138.12 g/mol
Molecular Formula C7H6O3
Exact Mass 138.031694 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID IPNA5eSo6jx
Name 3,4-Dihydroxybenzaldehyde
CAS Registry Number 139-85-5
Classification Designer drug precursor
Copyright Copyright © 2024 DigiLab GmbH and Wiley-VCH GmbH. All Rights Reserved.
Exact Mass 138.031694050 u
Formula C7H6O3
InChI InChI=1S/C7H6O3/c8-4-5-1-2-6(9)7(10)3-5/h1-4,9-10H
InChIKey IBGBGRVKPALMCQ-UHFFFAOYSA-N
Ionization Type Electron Ionization (EI)
Molecular Weight 138.122 g/mol
Nominal Mass 138 u
Quality 897
Retention Index 1740
SMILES OC1=C(C=C(C=C1)C=O)O
SPLASH splash10-0udr-9400000000-e8ac7fce560aba3141df
Source of Spectrum DigiLab GmbH (C) 2024
Synonyms 3,4-dihydroxybenzaldehyde
Technique GC/MS
Wiley ID DD2024_000950