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1-tert-Butyl-4-nitrobenzene
SpectraBase Compound ID ELeX1gwLaNE
InChI InChI=1S/C10H13NO2/c1-10(2,3)8-4-6-9(7-5-8)11(12)13/h4-7H,1-3H3
InChIKey XSCPVQNNFLHGHY-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 DPpjLLI2hEK
Name 1-tert-Butyl-4-nitrobenzene
CAS Registry Number 3282-56-2
Comments Structure changed after expert review
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C10H13NO2
InChI InChI=1S/C10H13NO2/c1-10(2,3)8-4-6-9(7-5-8)11(12)13/h4-7H,1-3H3
InChIKey XSCPVQNNFLHGHY-UHFFFAOYSA-N
Molecular Weight 179.219 g/mol
SMILES c1(ccc(cc1)[N+]([O-])=O)C(C)(C)C
SPLASH splash10-03xr-4900000000-739d215939243c748101
Source of Spectrum W5-1989-6607-1
Synonyms 1-tert-Butyl-4-nitro-benzene Benzene, 1-(1,1-dimethylethyl)-4-nitro- 4-t-Butylnitrobenzene 4-tert-Butylnitrobenzene p-Nitro-t-butylbenzene p-t-Butylnitrobenzene EINECS 221-922-1
Wiley ID 1175256