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1-(4-Methylphenyl)-2-nitropropane
SpectraBase Compound ID Hf0SSVGyHkI
InChI InChI=1S/C10H13NO2/c1-8-3-5-10(6-4-8)7-9(2)11(12)13/h3-6,9H,7H2,1-2H3
InChIKey CFQODFPYQZCNOY-UHFFFAOYSA-N
Mol Weight 179.22 g/mol
Molecular Formula C10H13NO2
Exact Mass 179.094629 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 5XJt96b4snQ
Name 1-(4-Methylphenyl)-2-nitropropane
Classification Designer drug precursor
Copyright Copyright © 2024 DigiLab GmbH and Wiley-VCH GmbH. All Rights Reserved.
Exact Mass 179.094628661 u
Formula C10H13NO2
InChI InChI=1S/C10H13NO2/c1-8-3-5-10(6-4-8)7-9(2)11(12)13/h3-6,9H,7H2,1-2H3
InChIKey CFQODFPYQZCNOY-UHFFFAOYSA-N
Ionization Type Electron Ionization (EI)
Molecular Weight 179.219 g/mol
Nominal Mass 179 u
Quality 989
Retention Index 1429
SMILES C([N+](=O)[O-])(CC=1C=CC(=CC1)C)C
SPLASH splash10-0api-4900000000-39819a2b02f5c019a49b
Source of Spectrum DigiLab GmbH (C) 2024
Synonyms 1-methyl-4-(2-nitropropyl)benzene
Technique GC/MS
Wiley ID DD2024_005438