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1,2,4-Tri-tert-butylbenzene
SpectraBase Compound ID GxfJsWrZQ22
InChI InChI=1S/C18H30/c1-16(2,3)13-10-11-14(17(4,5)6)15(12-13)18(7,8)9/h10-12H,1-9H3
InChIKey IHZGECPPAQDWKL-UHFFFAOYSA-N
Mol Weight 246.44 g/mol
Molecular Formula C18H30
Exact Mass 246.234751 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2GhE4i1FXZ
Name 1,2,4-Tri-tert-butylbenzene
Copyright Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved.
Formula C18H30
InChI InChI=1S/C18H30/c1-16(2,3)13-10-11-14(17(4,5)6)15(12-13)18(7,8)9/h10-12H,1-9H3
InChIKey IHZGECPPAQDWKL-UHFFFAOYSA-N
Instrument Name Agilent 7820A-5977B
Ionization Type EI
Literature Reference DOI 10.1002/anie.202000907
Molecular Weight 246.438 g/mol
SMILES c1cc(cc(c1C(C)(C)C)C(C)(C)C)C(C)(C)C
SPLASH splash10-0a4i-9260000000-b0cafb2b8c0078ff9a09
Source of Spectrum ACI-59-SM53-53-1
Wiley ID 1858182