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3-Butyn-2-ol, 2-methyl-, benzoate
SpectraBase Compound ID Jk7tziEq0ok
InChI InChI=1S/C12H12O2/c1-4-12(2,3)14-11(13)10-8-6-5-7-9-10/h1,5-9H,2-3H3
InChIKey XTTQOGPZZADBJS-UHFFFAOYSA-N
Mol Weight 188.23 g/mol
Molecular Formula C12H12O2
Exact Mass 188.08373 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2zqXCHuf0sg
Name 3-Butyn-2-ol, 2-methyl-, benzoate
CAS Registry Number 56438-73-4
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H12O2
InChI InChI=1S/C12H12O2/c1-4-12(2,3)14-11(13)10-8-6-5-7-9-10/h1,5-9H,2-3H3
InChIKey XTTQOGPZZADBJS-UHFFFAOYSA-N
Molecular Weight 188.226 g/mol
SMILES C(OC(C#C)(C)C)(=O)c1ccccc1
SPLASH splash10-0a6r-7900000000-9f85e553a839ac72ba9a
Source of Spectrum C-97-3775-0
Synonyms 1,1-Dimethylprop-2-ynyl benzoate 2-Methylbut-3-yn-2-yl benzoate 3-Butyn-2-ol, 3-methyl-, benzoate 3-Methyl-butin-1-benzoat-(3) benzoic acid 1,1-dimethylprop-2-ynyl ester benzoic acid 2-methylbut-3-yn-2-yl ester Benzoic acid, 3-methyl-1-butyn-3-yl ester AI3-07055 BRN 2441711
Wiley ID 1184858