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3,5-DIMETHOXY-BETA-NITROSTYRENE;3,5-OMENE
SpectraBase Compound ID xL1z3cld2U
InChI InChI=1S/C10H11NO4/c1-14-9-5-8(3-4-11(12)13)6-10(7-9)15-2/h3-7H,1-2H3/b4-3+
InChIKey LIROLLNTVLAPGP-ONEGZZNKSA-N
Mol Weight 209.2 g/mol
Molecular Formula C10H11NO4
Exact Mass 209.068808 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Dm6YYMWEq3c
Name 1-(3,5-Dimethoxyphenyl)-2-nitroethene
CAS Registry Number 56723-84-3
Classification Designer drug precursor
Comments Spectrum verified by crosschecking against external libraries (one reference spectrum with similarity >= 99% found); Spectrum verified by independent measurements in external laboratories
Copyright Copyright © 2024 DigiLab GmbH and Wiley-VCH GmbH. All Rights Reserved.
Exact Mass 209.068807834 u
Formula C10H11NO4
InChI InChI=1S/C10H11NO4/c1-14-9-5-8(3-4-11(12)13)6-10(7-9)15-2/h3-7H,1-2H3/b4-3+
InChIKey LIROLLNTVLAPGP-ONEGZZNKSA-N
Ionization Type Electron Ionization (EI)
Molecular Weight 209.201 g/mol
Nominal Mass 209 u
Quality 991
Retention Index 1862
SMILES C1(=CC(=CC(=C1)OC)OC)\C=C\[N+](=O)[O-]
SPLASH splash10-0a4i-8940000000-5d7d7b488a77062315a9
Sample Comments cis/trans isomerism uncertain
Source of Spectrum DigiLab GmbH (C) 2024
Synonyms 2-(3,5-Dimethoxyphenyl)-1-nitroethene Ethylene,1-nitro-2-[3,5-dimethoxyphenyl]-
Technique GC/MS
Wiley ID DD2024_024302