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(E)-1-(2,4,6-Trimethoxyphenyl)-2-nitrobut-1-ene
SpectraBase Compound ID LBvzXZpxj9g
InChI InChI=1S/C13H17NO5/c1-5-9(14(15)16)6-11-12(18-3)7-10(17-2)8-13(11)19-4/h6-8H,5H2,1-4H3/b9-6+
InChIKey CYYOBTASIFWSNE-RMKNXTFCSA-N
Mol Weight 267.28 g/mol
Molecular Formula C13H17NO5
Exact Mass 267.110673 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID BRddlGdlpVH
Name (E)-1-(2,4,6-Trimethoxyphenyl)-2-nitrobut-1-ene
Classification Designer drug precursor
Copyright Copyright © 2024 DigiLab GmbH and Wiley-VCH GmbH. All Rights Reserved.
Exact Mass 267.110672646 u
Formula C13H17NO5
InChI InChI=1S/C13H17NO5/c1-5-9(14(15)16)6-11-12(18-3)7-10(17-2)8-13(11)19-4/h6-8H,5H2,1-4H3/b9-6+
InChIKey CYYOBTASIFWSNE-RMKNXTFCSA-N
Ionization Type Electron Ionization (EI)
Molecular Weight 267.281 g/mol
Nominal Mass 267 u
Quality 994
Retention Index 2115
SMILES C1(=C(C=C(C=C1OC)OC)OC)\C=C/([N+](=O)[O-])CC
SPLASH splash10-00xr-4960000000-674ddb39a87c9db4f8f4
Source of Spectrum DigiLab GmbH (C) 2024
Synonyms 1,3,5-trimethoxy-2-[(1E)-2-nitrobut-1-en-1-yl]benzene
Technique GC/MS
Wiley ID DD2024_008126