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3,3-Dimethyl-1-butynyl benzoate
SpectraBase Compound ID 38WsennMF3t
InChI InChI=1S/C13H14O2/c1-13(2,3)9-10-15-12(14)11-7-5-4-6-8-11/h4-8H,1-3H3
InChIKey PYBKBZHNHYPLAR-UHFFFAOYSA-N
Mol Weight 202.25 g/mol
Molecular Formula C13H14O2
Exact Mass 202.09938 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 6WC0NrOSuUE
Name 3,3-Dimethyl-1-butynyl benzoate
CAS Registry Number 104911-35-5
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H14O2
InChI InChI=1S/C13H14O2/c1-13(2,3)9-10-15-12(14)11-7-5-4-6-8-11/h4-8H,1-3H3
InChIKey PYBKBZHNHYPLAR-UHFFFAOYSA-N
Molecular Weight 202.253 g/mol
SMILES C(#CC(C)(C)C)OC(=O)c1ccccc1
SPLASH splash10-0a4i-0910000000-ce9db83ca0409f2cd893
Source of Spectrum C-108-7833-8
Synonyms 3,3-Dimethylbut-1-ynyl benzoate benzoic acid 3,3-dimethylbut-1-ynyl ester
Wiley ID 1200038