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Acetovanillone
SpectraBase Compound ID EGPdYXD02h1
InChI InChI=1S/C9H10O3/c1-6(10)7-3-4-8(11)9(5-7)12-2/h3-5,11H,1-2H3
InChIKey DFYRUELUNQRZTB-UHFFFAOYSA-N
Mol Weight 166.18 g/mol
Molecular Formula C9H10O3
Exact Mass 166.062994 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID DkNwGyTBpc8
Name Acetovanillone
CAS Registry Number 498-02-2
Classification Drug intermediate
Comments Spectrum verified by independent measurements in external laboratories
Copyright Copyright © 2024 DigiLab GmbH and Wiley-VCH GmbH. All Rights Reserved.
Exact Mass 166.062994179 u
Formula C9H10O3
InChI InChI=1S/C9H10O3/c1-6(10)7-3-4-8(11)9(5-7)12-2/h3-5,11H,1-2H3
InChIKey DFYRUELUNQRZTB-UHFFFAOYSA-N
Ionization Type Electron Ionization (EI)
Molecular Weight 166.176 g/mol
Nominal Mass 166 u
Quality 996
Retention Index 1200
SMILES OC1=C(C=C(C(=O)C)C=C1)OC
SPLASH splash10-0udi-4900000000-bbb2d5ee1585aad9f367
Source of Spectrum DigiLab GmbH (C) 2024
Synonyms Apocynin 1-(4-hydroxy-3-methoxyphenyl)ethanone
Technique GC/MS
Wiley ID DD2024_031199