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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) Spectrum

13C Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID I5O8ziKJCTE
Name 4-tert-Butyl-o-xylene
Source of Sample Sigma-Aldrich Co. LLC.
Catalog Number 425141
Copyright Copyright © 2021-2024 Sigma-Aldrich Co. LLC. - Database Compilation Copyright © 2021 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
Molecular Weight 162.276 g/mol
Observed nucleus 13C
Purity 99%
Solvent CDCl3
Source of Spectrum Sigma-Aldrich Co. LLC.
Wiley ID SIAL_13CNMR_014321