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Benzene, 1-benzyl-2-methyl-3-nitro-
SpectraBase Compound ID KiY7yIJeCNx
InChI InChI=1S/C14H13NO2/c1-11-13(8-5-9-14(11)15(16)17)10-12-6-3-2-4-7-12/h2-9H,10H2,1H3
InChIKey QKNMXNRDAXPDHQ-UHFFFAOYSA-N
Mol Weight 227.26 g/mol
Molecular Formula C14H13NO2
Exact Mass 227.094629 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID AzU08UED4gC
Name Benzene, 1-benzyl-2-methyl-3-nitro-
Alternate Name(s) 1-Benzyl-2-methyl-3-nitro-benzene 2-Methyl-1-nitro-3-(phenylmethyl)benzene
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C14H13NO2
InChI InChI=1S/C14H13NO2/c1-11-13(8-5-9-14(11)15(16)17)10-12-6-3-2-4-7-12/h2-9H,10H2,1H3
InChIKey QKNMXNRDAXPDHQ-UHFFFAOYSA-N
Molecular Weight 227.263 g/mol
SMILES c1ccc(c(c1N(=O)=O)C)Cc1ccccc1
SPLASH splash10-00o0-4920000000-e69c825eba94b0ea210b
Wiley ID 1486134