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1-tert-Butyl-4-chloro-benzene
SpectraBase Compound ID Ee5wcF9V0bH
InChI InChI=1S/C10H13Cl/c1-10(2,3)8-4-6-9(11)7-5-8/h4-7H,1-3H3
InChIKey XRTANKYQJQXSFP-UHFFFAOYSA-N
Mol Weight 168.67 g/mol
Molecular Formula C10H13Cl
Exact Mass 168.070578 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID HcRtM8m8aYq
Name 1-Chloro-4-(tert-butyl)benzene
Appearance Colorless liquid
Copyright Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 168.070578119 u
Formula C10H13Cl
InChI InChI=1S/C10H13Cl/c1-10(2,3)8-4-6-9(11)7-5-8/h4-7H,1-3H3
InChIKey XRTANKYQJQXSFP-UHFFFAOYSA-N
Instrument Name Agilent 5977B
Ionization Type EI positive ion
Literature Reference DOI 10.1002/chem.202103669
Molecular Weight 168.667 g/mol
Quality 258
SMILES C1(Cl)=CC=C(C=C1)C(C)(C)C
SPLASH splash10-0udi-0900000000-0489e6cc45a66536c106
Source of Spectrum QE-28-SM43-5g (DOI: 10.1002/chem.202103669)
Wiley ID 1898380