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 |
SpectraBase Spectrum ID | HPBd818o51e |
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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 |