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(3S)-1-phenyl-1-pentyn-3-ol
SpectraBase Compound ID AFovpIGOW5z
InChI InChI=1S/C11H12O/c1-2-11(12)9-8-10-6-4-3-5-7-10/h3-7,11-12H,2H2,1H3/t11-/m0/s1
InChIKey QWCMSASONHVIHV-NSHDSACASA-N
Mol Weight 160.22 g/mol
Molecular Formula C11H12O
Exact Mass 160.088815 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 64Ios7LBKBH
Name (3S)-1-Phenyl-1-pentyn-3-ol
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 160.088815005 u
Formula C11H12O
InChI InChI=1S/C11H12O/c1-2-11(12)9-8-10-6-4-3-5-7-10/h3-7,11-12H,2H2,1H3/t11-/m0/s1
InChIKey QWCMSASONHVIHV-NSHDSACASA-N
Molecular Weight 160.216 g/mol
SMILES C(#C[C@@](O)(CC)[H])C=1C=CC=CC1