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3',5'-Dimethoxyacetophenone
SpectraBase Compound ID FLDt1qFET01
InChI InChI=1S/C10H12O3/c1-7(11)8-4-9(12-2)6-10(5-8)13-3/h4-6H,1-3H3
InChIKey YJKHOUIVWKQRSL-UHFFFAOYSA-N
Mol Weight 180.2 g/mol
Molecular Formula C10H12O3
Exact Mass 180.078644 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID JIk49QiEQ9Q
Name 3,5-Dimethoxyacetophenone
CAS Registry Number 39151-19-4
Classification Designer drug precursor
Comments Spectrum verified by crosschecking against external libraries (one reference spectrum with similarity >= 99% found); Spectrum verified by independent measurements in external laboratories
Copyright Copyright © 2024 DigiLab GmbH and Wiley-VCH GmbH. All Rights Reserved.
Exact Mass 180.078644243 u
Formula C10H12O3
InChI InChI=1S/C10H12O3/c1-7(11)8-4-9(12-2)6-10(5-8)13-3/h4-6H,1-3H3
InChIKey YJKHOUIVWKQRSL-UHFFFAOYSA-N
Ionization Type Electron Ionization (EI)
Molecular Weight 180.203 g/mol
Nominal Mass 180 u
Quality 993
Retention Index 1536
SMILES C=1(C(=O)C)C=C(C=C(C1)OC)OC
SPLASH splash10-0159-2900000000-2c1bac2e23bcce41a3c5
Source of Spectrum DigiLab GmbH (C) 2024
Synonyms 3',5'-Dimethoxyacetophenone 1-(3,5-Dimethoxyphenyl)ethanone
Technique GC/MS
Wiley ID DD2024_000973