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1,2,4-Trimethoxy-5-[(1E)-2-nitro-1-propenyl]benzene
SpectraBase Compound ID HRZiDOqzOQ9
InChI InChI=1S/C12H15NO5/c1-8(13(14)15)5-9-6-11(17-3)12(18-4)7-10(9)16-2/h5-7H,1-4H3/b8-5+
InChIKey YJLWVSYNZFMHTK-VMPITWQZSA-N
Mol Weight 253.25 g/mol
Molecular Formula C12H15NO5
Exact Mass 253.095023 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID LSBxNql9bt3
Name (E)-1-(2,4,5-Trimethoxyphenyl)-2-nitroprop-1-ene
Classification Designer drug precursor
Copyright Copyright © 2024 DigiLab GmbH and Wiley-VCH GmbH. All Rights Reserved.
Exact Mass 253.095022582 u
Formula C12H15NO5
InChI InChI=1S/C12H15NO5/c1-8(13(14)15)5-9-6-11(17-3)12(18-4)7-10(9)16-2/h5-7H,1-4H3/b8-5+
InChIKey YJLWVSYNZFMHTK-VMPITWQZSA-N
Ionization Type Electron Ionization (EI)
Molecular Weight 253.254 g/mol
Nominal Mass 253 u
Quality 972
Retention Index 1877
SMILES C=1(C(=CC(=C(C1)OC)OC)OC)\C=C/([N+](=O)[O-])C
SPLASH splash10-0zfu-5950000000-b859925f8a6aed9cff56
Source of Spectrum DigiLab GmbH (C) 2024
Synonyms 1,2,4-trimethoxy-5-[(1E)-2-nitroprop-1-en-1-yl]benzene
Technique GC/MS
Wiley ID DD2024_004172