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4-Tert-Butyl-1-n-butylbenzene

View entire compound with spectra: 1 MS (GC)

4-Tert-Butyl-1-n-butylbenzene
SpectraBase Compound ID 4xiWKSRRWOC
InChI InChI=1S/C14H22/c1-5-6-7-12-8-10-13(11-9-12)14(2,3)4/h8-11H,5-7H2,1-4H3
InChIKey BDSMPLDBKOVNHW-UHFFFAOYSA-N
Mol Weight 190.33 g/mol
Molecular Formula C14H22
Exact Mass 190.172151 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID EIU80VnVwcI
Name 4-Tert-Butyl-1-n-butylbenzene
Alternate Name(s) 1-(tert-butyl)-4-butylbenzene 1-Butyl-4-tert-butylbenzene
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C14H22
InChI InChI=1S/C14H22/c1-5-6-7-12-8-10-13(11-9-12)14(2,3)4/h8-11H,5-7H2,1-4H3
InChIKey BDSMPLDBKOVNHW-UHFFFAOYSA-N
Literature Reference DOI 10.1021/jo100846t
Molecular Weight 190.330 g/mol
SMILES c1(C(C)(C)C)ccc(cc1)CCCC
SPLASH splash10-004i-0900000000-7bf83cb7c4fa5807e3a0
Source of Spectrum J-75-5109/SMS13-arb1
Wiley ID 1751697