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1-(2,6-Dimethoxyphenyl)-2-nitrobutane
SpectraBase Compound ID JwTvKstw2E9
InChI InChI=1S/C12H17NO4/c1-4-9(13(14)15)8-10-11(16-2)6-5-7-12(10)17-3/h5-7,9H,4,8H2,1-3H3
InChIKey IRSNZHJYZRCBCN-UHFFFAOYSA-N
Mol Weight 239.27 g/mol
Molecular Formula C12H17NO4
Exact Mass 239.115758 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID JHwgqxSl2Gm
Name 1-(2,6-Dimethoxyphenyl)-2-nitrobutane
Classification Designer drug precursor
Copyright Copyright © 2024 DigiLab GmbH and Wiley-VCH GmbH. All Rights Reserved.
Exact Mass 239.115758027 u
Formula C12H17NO4
InChI InChI=1S/C12H17NO4/c1-4-9(13(14)15)8-10-11(16-2)6-5-7-12(10)17-3/h5-7,9H,4,8H2,1-3H3
InChIKey IRSNZHJYZRCBCN-UHFFFAOYSA-N
Ionization Type Electron Ionization (EI)
Molecular Weight 239.271 g/mol
Nominal Mass 239 u
Quality 988
Retention Index 1780
SMILES C1(=C(C=CC=C1OC)OC)CC([N+](=O)[O-])CC
SPLASH splash10-0f6x-4900000000-484108da5e69c37c3672
Source of Spectrum DigiLab GmbH (C) 2024
Synonyms 1,3-dimethoxy-2-(2-nitrobutyl)benzene
Technique GC/MS
Wiley ID DD2024_001091