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4-iso-Propyl-1-methyl-2-(nitromethyl)benzene
SpectraBase Compound ID BZVdjp2ljYZ
InChI InChI=1S/C11H15NO2/c1-8(2)10-5-4-9(3)11(6-10)7-12(13)14/h4-6,8H,7H2,1-3H3
InChIKey FGTOVLRFSQUUKQ-UHFFFAOYSA-N
Mol Weight 193.25 g/mol
Molecular Formula C11H15NO2
Exact Mass 193.110279 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID KZgY2sPhJK4
Name 4-iso-Propyl-1-methyl-2-(nitromethyl)benzene
Appearance Yellow oil
Carrier Gas Hydrogen
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C11H15NO2
GC Oven Program Oven temp 300 oC
InChI InChI=1S/C11H15NO2/c1-8(2)10-5-4-9(3)11(6-10)7-12(13)14/h4-6,8H,7H2,1-3H3
InChIKey FGTOVLRFSQUUKQ-UHFFFAOYSA-N
Instrument Name Agilent GC6890-HP 5973
Ionization Type EI
Literature Reference DOI 10.1002/ejoc.202200058
Molecular Weight 193.246 g/mol
Quality 318
SMILES C=1C=C(C)C(=CC1C(C)C)C[N+]([O-])=O
SPLASH splash10-000t-2900000000-c2e744b12d506177666c
Source of Spectrum K1-2022-SM4-10 (DOI: 10.1002/ejoc.202200058)
Thin-Layer Chromatography 0.4 (SiO2, cHex/EtOAc, 10:1)
Wiley ID 1898681