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1-(2,4,5-Trimethoxyphenyl)-2-nitrobutane
SpectraBase Compound ID 3257uNacx2U
InChI InChI=1S/C13H19NO5/c1-5-10(14(15)16)6-9-7-12(18-3)13(19-4)8-11(9)17-2/h7-8,10H,5-6H2,1-4H3
InChIKey KLNLFKOZHLZNMM-UHFFFAOYSA-N
Mol Weight 269.3 g/mol
Molecular Formula C13H19NO5
Exact Mass 269.126323 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 8FQwI665lHk
Name 1-(2,4,5-Trimethoxyphenyl)-2-nitrobutane
Classification Designer drug precursor
Copyright Copyright © 2024 DigiLab GmbH and Wiley-VCH GmbH. All Rights Reserved.
Exact Mass 269.126322711 u
Formula C13H19NO5
InChI InChI=1S/C13H19NO5/c1-5-10(14(15)16)6-9-7-12(18-3)13(19-4)8-11(9)17-2/h7-8,10H,5-6H2,1-4H3
InChIKey KLNLFKOZHLZNMM-UHFFFAOYSA-N
Ionization Type Electron Ionization (EI)
Molecular Weight 269.297 g/mol
Nominal Mass 269 u
Quality 950
Retention Index 1943
SMILES C1(=C(C=C(C(=C1)OC)OC)OC)CC([N+](=O)[O-])CC
SPLASH splash10-001i-4930000000-b2178ebddbc3647591ba
Source of Spectrum DigiLab GmbH (C) 2024
Synonyms 1,2,4-trimethoxy-5-(2-nitrobutyl)benzene
Technique GC/MS
Wiley ID DD2024_004805