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1-tert-Butyl-3-isopropylbenzene
SpectraBase Compound ID 524M2S2Z6aE
InChI InChI=1S/C13H20/c1-10(2)11-7-6-8-12(9-11)13(3,4)5/h6-10H,1-5H3
InChIKey OWOLIQXOOMFSJE-UHFFFAOYSA-N
Mol Weight 176.3 g/mol
Molecular Formula C13H20
Exact Mass 176.156501 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID IWoNSGToq3r
Name 1-tert-Butyl-3-isopropylbenzene
Alternate Name(s) 1-Isopropyl-3-tert-butylbenzene 1-tert-Butyl-3-propan-2-yl-benzene 1-tert-Butyl-3-propan-2-ylbenzene
CAS Registry Number 20033-12-9
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H20
InChI InChI=1S/C13H20/c1-10(2)11-7-6-8-12(9-11)13(3,4)5/h6-10H,1-5H3
InChIKey OWOLIQXOOMFSJE-UHFFFAOYSA-N
Molecular Weight 176.303 g/mol
SMILES c1cc(cc(c1)C(C)(C)C)C(C)C
SPLASH splash10-03di-3900000000-34d97cb22bc372a96b8b
Source of Spectrum PR-1235-0-0
Wiley ID 1172912