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1-Chloro-3,3-dimethyl-butane
SpectraBase Compound ID 7kpygrHfLBj
InChI InChI=1S/C6H13Cl/c1-6(2,3)4-5-7/h4-5H2,1-3H3
InChIKey XGCKOSFYXBAPQM-UHFFFAOYSA-N
Mol Weight 120.62 g/mol
Molecular Formula C6H13Cl
Exact Mass 120.070578 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID FicdLTgt9Tc
Name Butane, 1-chloro-3,3-dimethyl-
Alternate Name(s) 1-Chloranyl-3,3-dimethyl-butane 1-Chloro-3,3-dimethyl-butane Neohexyl chloride EINECS 220-665-2
CAS Registry Number 2855-08-5
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C6H13Cl
InChI InChI=1S/C6H13Cl/c1-6(2,3)4-5-7/h4-5H2,1-3H3
InChIKey XGCKOSFYXBAPQM-UHFFFAOYSA-N
Molecular Weight 120.623 g/mol
SMILES C(Cl)CC(C)(C)C
SPLASH splash10-0aou-9000000000-c75dab1a5f49d1ea7399
Source of Spectrum NP-0-5166-0
Wiley ID 1096204