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erythro-1-tert-butoxy-1-phenyl-2-chloropropane
SpectraBase Compound ID O4L6PlUk0l
InChI InChI=1S/C13H19ClO/c1-10(14)12(15-13(2,3)4)11-8-6-5-7-9-11/h5-10,12H,1-4H3
InChIKey MXEGPSOIHMCCEX-UHFFFAOYSA-N
Mol Weight 226.75 g/mol
Molecular Formula C13H19ClO
Exact Mass 226.112443 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID IzGqXO57cmp
Name erythro-1-tert-butoxy-1-phenyl-2-chloropropane
Alternate Name(s) (1-tert-butoxy-2-chloropropyl)benzene tert-Butyl 2-chloro-1-phenylpropyl ether
CAS Registry Number 111558-85-1
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H19ClO
InChI InChI=1S/C13H19ClO/c1-10(14)12(15-13(2,3)4)11-8-6-5-7-9-11/h5-10,12H,1-4H3
InChIKey MXEGPSOIHMCCEX-UHFFFAOYSA-N
Molecular Weight 226.747 g/mol
SMILES C(OC(C)(C)C)(c1ccccc1)C(Cl)C
SPLASH splash10-0a4i-4900000000-4d8f2ae4a2d85ead05fe
Source of Spectrum J-53-200-0
Wiley ID 1227525