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2,6-Xylenol, 4-tert-butyl-
SpectraBase Compound ID CNmAYJKmgJx
InChI InChI=1S/C12H18O/c1-8-6-10(12(3,4)5)7-9(2)11(8)13/h6-7,13H,1-5H3
InChIKey MEPYMUOZRROULQ-UHFFFAOYSA-N
Mol Weight 178.27 g/mol
Molecular Formula C12H18O
Exact Mass 178.135765 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID A4CfaHGsavZ
Name 2,6-Xylenol, 4-tert-butyl-
Alternate Name(s) Phenol, 4-(1,1-dimethylethyl)-2,6-dimethyl- 4-tert-Butyl-2,6-dimethyl-phenol 4-tert-Butyl-2,6-xylenol EINECS 212-910-7 NSC 48140
CAS Registry Number 879-97-0
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H18O
InChI InChI=1S/C12H18O/c1-8-6-10(12(3,4)5)7-9(2)11(8)13/h6-7,13H,1-5H3
InChIKey MEPYMUOZRROULQ-UHFFFAOYSA-N
Molecular Weight 178.275 g/mol
SMILES Oc1c(cc(C(C)(C)C)cc1C)C
SPLASH splash10-03di-1900000000-542d0ccf0c2ef95b26c5
Source of Spectrum IC-381-0-0
Wiley ID 1174547