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1-Pentyn-3-ol, 4-methyl-, benzoate
SpectraBase Compound ID 6KhJKyNE4zr
InChI InChI=1S/C13H14O2/c1-4-12(10(2)3)15-13(14)11-8-6-5-7-9-11/h1,5-10,12H,2-3H3
InChIKey UJWICXKNHCYPAA-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 I014BNZauSw
Name 1-Pentyn-3-ol, 4-methyl-, benzoate
CAS Registry Number 56438-76-7
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H14O2
InChI InChI=1S/C13H14O2/c1-4-12(10(2)3)15-13(14)11-8-6-5-7-9-11/h1,5-10,12H,2-3H3
InChIKey UJWICXKNHCYPAA-UHFFFAOYSA-N
Molecular Weight 202.253 g/mol
SMILES C(OC(C#C)C(C)C)(=O)c1ccccc1
SPLASH splash10-0a4i-3900000000-459339b4b9bf5ff004c8
Source of Spectrum C-97-3775-0
Synonyms 1-isopropyl-2-propynyl benzoate 1-Isopropylpropargyl benzoate 1-Propylpropargyl benzoate
Wiley ID 1200001