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3,4,5-TRIMETHOXY-BETA-NITROSTYRENE;3,4,5-OMENE
SpectraBase Compound ID 4QOz9BqWghE
InChI InChI=1S/C11H13NO5/c1-15-9-6-8(4-5-12(13)14)7-10(16-2)11(9)17-3/h4-7H,1-3H3/b5-4+
InChIKey PEPYBEJQAIGLRE-SNAWJCMRSA-N
Mol Weight 239.23 g/mol
Molecular Formula C11H13NO5
Exact Mass 239.079373 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID DkiFuoAus8O
Name 1-(3,4,5-Trimethoxyphenyl)-2-nitroethene
Classification Designer drug precursor
Comments Spectrum verified by independent measurements in external laboratories
Copyright Copyright © 2024 DigiLab GmbH and Wiley-VCH GmbH. All Rights Reserved.
Exact Mass 239.079372518 u
Formula C11H13NO5
InChI InChI=1S/C11H13NO5/c1-15-9-6-8(4-5-12(13)14)7-10(16-2)11(9)17-3/h4-7H,1-3H3/b5-4+
InChIKey PEPYBEJQAIGLRE-SNAWJCMRSA-N
Ionization Type Electron Ionization (EI)
Molecular Weight 239.227 g/mol
Nominal Mass 239 u
Quality 997
Retention Index 2003
SMILES C1(=C(C=C(C=C1OC)\C=C\[N+](=O)[O-])OC)OC
SPLASH splash10-000i-4940000000-c5dc9cfe407472d5de43
Sample Comments cis/trans isomerism uncertain
Source of Spectrum DigiLab GmbH (C) 2024
Technique GC/MS
Wiley ID DD2024_024309