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4-tert-Butyl-o-xylene

View entire compound with spectra: 17 NMR, 1 FTIR, and 1 MS (GC)

4-tert-Butyl-o-xylene
SpectraBase Compound ID 1T9EfmQHxKQ
InChI InChI=1S/C12H18/c1-9-6-7-11(8-10(9)2)12(3,4)5/h6-8H,1-5H3
InChIKey QRPPSTNABSMSCS-UHFFFAOYSA-N
Mol Weight 162.28 g/mol
Molecular Formula C12H18
Exact Mass 162.140851 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID G1173pVithY
Name 4-tert-BUTYL-o-XYLENE
Source of Sample Tokyo Kasei Kogyo Company, Ltd., Tokyo, Japan
Boiling Point 212C
CAS Registry Number 7397-06-0
Copyright Copyright © 1980, 1981-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H18
InChI InChI=1S/C12H18/c1-9-6-7-11(8-10(9)2)12(3,4)5/h6-8H,1-5H3
InChIKey QRPPSTNABSMSCS-UHFFFAOYSA-N
Melting Point 24C
Molecular Weight 162.28
Solvent Chloroform-d; Reference=TMS Spectrometer= Bruker AC-300
Synonyms BENZENE, 4-tert-BUTYL-1,2-DIMETHYL-,