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4-Hydroxybut-3-ynyl)benzonitrile
SpectraBase Compound ID GLKxBAdEdlP
InChI InChI=1S/C11H9NO/c1-2-3-11(13)10-6-4-9(8-12)5-7-10/h1,4-7,11,13H,3H2
InChIKey IQVZNUGJJXZUDA-UHFFFAOYSA-N
Mol Weight 171.2 g/mol
Molecular Formula C11H9NO
Exact Mass 171.068414 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID HPBd818o51e
Name 4-Hydroxybut-3-ynyl)benzonitrile
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 171.068413913 u
Formula C11H9NO
InChI InChI=1S/C11H9NO/c1-2-3-11(13)10-6-4-9(8-12)5-7-10/h1,4-7,11,13H,3H2
InChIKey IQVZNUGJJXZUDA-UHFFFAOYSA-N
Molecular Weight 171.199 g/mol
SMILES C1(=CC=C(C=C1)C#N)C(CC#C)O