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1-Isobutyl-4-(2-nitroprop-2-yl)benzene
SpectraBase Compound ID 1dg2A19UyVD
InChI InChI=1S/C13H19NO2/c1-10(2)9-11-5-7-12(8-6-11)13(3,4)14(15)16/h5-8,10H,9H2,1-4H3
InChIKey YHXYRYDVXWTVSB-UHFFFAOYSA-N
Mol Weight 221.3 g/mol
Molecular Formula C13H19NO2
Exact Mass 221.141579 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID F63jCK9eGnS
Name 1-Isobutyl-4-(2-nitroprop-2-yl)benzene
Alternate Name(s) 1-isobutyl-4-(1-methyl-1-nitroethyl)benzene
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Formula C13H19NO2
InChI InChI=1S/C13H19NO2/c1-10(2)9-11-5-7-12(8-6-11)13(3,4)14(15)16/h5-8,10H,9H2,1-4H3
InChIKey YHXYRYDVXWTVSB-UHFFFAOYSA-N
Molecular Weight 221.300 g/mol
SMILES c1(ccc(cc1)C(C)(C)N(=O)=O)CC(C)C
SPLASH splash10-00xu-2900000000-77e73ed642cc6a83543e
Source of Spectrum Y1-46-1532-5
Wiley ID 1622346