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6-tert-BUTYL-3,4-XYLENOL
SpectraBase Compound ID DCGXSJ6A3GN
InChI InChI=1S/C12H18O/c1-8-6-10(12(3,4)5)11(13)7-9(8)2/h6-7,13H,1-5H3
InChIKey GDGFDAKCWRGGHW-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 4omtSwATK19
Name 3,4-Xylenol, 6-tert-butyl-
Alternate Name(s) Phenol, 2-(1,1-dimethylethyl)-4,5-dimethyl- 2-tert-Butyl-4,5-dimethyl-phenol 2-tert-Butyl-4,5-xylenol 6-tert-Butyl-3,4-xylenol BRN 2327366 EINECS 215-891-3
CAS Registry Number 1445-23-4
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)11(13)7-9(8)2/h6-7,13H,1-5H3
InChIKey GDGFDAKCWRGGHW-UHFFFAOYSA-N
Molecular Weight 178.275 g/mol
SMILES Oc1c(cc(C)c(c1)C)C(C)(C)C
SPLASH splash10-03di-0900000000-e50001ba7e842cd93fb4
Source of Spectrum I-56-265-0
Wiley ID 1174545