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3-Methoxyacetaminophen
SpectraBase Compound ID AwKuFGpioYr
InChI InChI=1S/C9H11NO3/c1-6(11)10-7-3-4-8(12)9(5-7)13-2/h3-5,12H,1-2H3,(H,10,11)
InChIKey KIZWIAQUWRXFNC-UHFFFAOYSA-N
Mol Weight 181.19 g/mol
Molecular Formula C9H11NO3
Exact Mass 181.073893 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID JFC7FTilGSG
Name 3-Methoxyacetaminophen
CAS Registry Number 3251-55-6
Classification Pharmaceutical drug metabolite
Copyright Copyright © 2024 DigiLab GmbH and Wiley-VCH GmbH. All Rights Reserved.
Exact Mass 181.073893215 u
Formula C9H11NO3
InChI InChI=1S/C9H11NO3/c1-6(11)10-7-3-4-8(12)9(5-7)13-2/h3-5,12H,1-2H3,(H,10,11)
InChIKey KIZWIAQUWRXFNC-UHFFFAOYSA-N
Ionization Type Electron Ionization (EI)
Molecular Weight 181.191 g/mol
Nominal Mass 181 u
Quality 987
Retention Index 1363
SMILES OC=1C(=CC(NC(=O)C)=CC1)OC
SPLASH splash10-0080-5900000000-a4b39caf2ea9bc6dc03a
Source of Spectrum DigiLab GmbH (C) 2024
Synonyms 3-Methoxyparacetamol N-(4-hydroxy-3-methoxyphenyl)acetamide
Technique GC/MS
Wiley ID DD2024_034629