For citations & permissions, please see: Citations & Permissions - Wiley Science Solutions*

*Links on SpectraBase are not permalinks.
1-(4-Bromo-2,5-dimethoxyphenyl)-2-nitrobut-1-ene
SpectraBase Compound ID Kng8gOKSwum
InChI InChI=1S/C12H14BrNO4/c1-4-9(14(15)16)5-8-6-12(18-3)10(13)7-11(8)17-2/h5-7H,4H2,1-3H3/b9-5-
InChIKey WQSCHZWDJVRGLM-UITAMQMPSA-N
Mol Weight 316.15 g/mol
Molecular Formula C12H14BrNO4
Exact Mass 315.010621 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

View the Full Spectrum for FREE!

The full spectrum can only be viewed using a FREE account.

SpectraBase Spectrum ID 3zRCmOQ422E
Name 1-(4-Bromo-2,5-dimethoxyphenyl)-2-nitrobut-1-ene
Classification Designer drug precursor
Copyright Copyright © 2024 DigiLab GmbH and Wiley-VCH GmbH. All Rights Reserved.
Exact Mass 315.010620931 u
Formula C12H14BrNO4
InChI InChI=1S/C12H14BrNO4/c1-4-9(14(15)16)5-8-6-12(18-3)10(13)7-11(8)17-2/h5-7H,4H2,1-3H3/b9-5-
InChIKey WQSCHZWDJVRGLM-UITAMQMPSA-N
Ionization Type Electron Ionization (EI)
Molecular Weight 316.151 g/mol
Nominal Mass 315 u
Quality 978
Retention Index 2246
SMILES C=1(C(=CC(=C(C1)OC)Br)OC)\C=C\([N+](=O)[O-])CC
SPLASH splash10-016r-4941000000-635e659264d448a36b17
Source of Spectrum DigiLab GmbH (C) 2024
Synonyms 1-bromo-2,5-dimethoxy-4-(2-nitrobut-1-en-1-yl)benzene
Technique GC/MS
Wiley ID DD2024_005590