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1-(2,4,6-Trimethoxyphenyl)-2-nitropropane
SpectraBase Compound ID lRZWzBZwgO
InChI InChI=1S/C12H17NO5/c1-8(13(14)15)5-10-11(17-3)6-9(16-2)7-12(10)18-4/h6-8H,5H2,1-4H3
InChIKey KZNRIEHYMJNWLC-UHFFFAOYSA-N
Mol Weight 255.27 g/mol
Molecular Formula C12H17NO5
Exact Mass 255.110673 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID JFfnSh6AckK
Name 1-(2,4,6-Trimethoxyphenyl)-2-nitropropane
Classification Designer drug precursor
Copyright Copyright © 2024 DigiLab GmbH and Wiley-VCH GmbH. All Rights Reserved.
Exact Mass 255.110672646 u
Formula C12H17NO5
InChI InChI=1S/C12H17NO5/c1-8(13(14)15)5-10-11(17-3)6-9(16-2)7-12(10)18-4/h6-8H,5H2,1-4H3
InChIKey KZNRIEHYMJNWLC-UHFFFAOYSA-N
Ionization Type Electron Ionization (EI)
Molecular Weight 255.270 g/mol
Nominal Mass 255 u
Quality 981
Retention Index 1889
SMILES C1(=C(C=C(C=C1OC)OC)OC)CC([N+](=O)[O-])C
SPLASH splash10-0a59-4930000000-be70686d0410a20957c5
Source of Spectrum DigiLab GmbH (C) 2024
Synonyms 1,3,5-trimethoxy-2-(2-nitropropyl)benzene
Technique GC/MS
Wiley ID DD2024_007571