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3-Methoxybenzaldehyde
SpectraBase Compound ID A2s1OfPjSLM
InChI InChI=1S/C8H8O2/c1-10-8-4-2-3-7(5-8)6-9/h2-6H,1H3
InChIKey WMPDAIZRQDCGFH-UHFFFAOYSA-N
Mol Weight 136.15 g/mol
Molecular Formula C8H8O2
Exact Mass 136.052429 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 9xEX5mnJQ0x
Name 3-Methoxybenzaldehyde
CAS Registry Number 591-31-1
Classification Designer drug precursor
Comments Spectrum verified by crosschecking against external libraries (two reference spectrum with similarity >= 99% found)
Copyright Copyright © 2024 DigiLab GmbH and Wiley-VCH GmbH. All Rights Reserved.
Exact Mass 136.052429496 u
Formula C8H8O2
InChI InChI=1S/C8H8O2/c1-10-8-4-2-3-7(5-8)6-9/h2-6H,1H3
InChIKey WMPDAIZRQDCGFH-UHFFFAOYSA-N
Ionization Type Electron Ionization (EI)
Molecular Weight 136.150 g/mol
Nominal Mass 136 u
Quality 988
Retention Index 1029
SMILES C1(=CC(=CC=C1)OC)C=O
SPLASH splash10-000i-6900000000-ffcdd4d8702ff00d7a1c
Source of Spectrum DigiLab GmbH (C) 2024
Synonyms m-Anisaldehyde
Technique GC/MS
Wiley ID DD2024_001989