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o-nitrocumene
SpectraBase Compound ID jr8Tj05bex
InChI InChI=1S/C9H11NO2/c1-7(2)8-5-3-4-6-9(8)10(11)12/h3-7H,1-2H3
InChIKey BSMKYQUHXQAVKG-UHFFFAOYSA-N
Mol Weight 165.19 g/mol
Molecular Formula C9H11NO2
Exact Mass 165.078979 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 4RQfDcSjCcH
Name Benzene, 1-(1-methylethyl)-2-nitro-
CAS Registry Number 6526-72-3
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C9H11NO2
InChI InChI=1S/C9H11NO2/c1-7(2)8-5-3-4-6-9(8)10(11)12/h3-7H,1-2H3
InChIKey BSMKYQUHXQAVKG-UHFFFAOYSA-N
Molecular Weight 165.192 g/mol
SMILES CC(C)c1ccccc1N(=O)=O
SPLASH splash10-0f96-9500000000-ad8992c05bf6ec443cb5
Source of Spectrum O-14-449-2
Synonyms Cumene, o-nitro- 1-isopropyl-2-nitro-benzene 1-Nitro-2-propan-2-yl-benzene 2-Isopropylnitrobenzene 2-Nitrocumene 2-Nitroisopropylbenzene o-Isopropylnitrobenzene o-Nitroisopropylbenzene EINECS 229-415-7
Wiley ID 1161355