SpectraBase Compound ID | ekFZtr6CCK |
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InChI | InChI=1S/C11H11NO/c1-9(2)8-13-11-6-4-3-5-10(11)7-12/h3-6H,1,8H2,2H3 |
InChIKey | DERBRTIWMTUIMF-UHFFFAOYSA-N |
Mol Weight | 173.21 g/mol |
Molecular Formula | C11H11NO |
Exact Mass | 173.084064 g/mol |
SpectraBase Spectrum ID | GiIzCd9flB0 |
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Name | 2-(2'-Methylprop-2'-enyloxy)-benzonitrile |
Comments | Computed using SmartSpectra Model v1.42 |
Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass | 173.084063977 u |
Formula | C11H11NO |
InChI | InChI=1S/C11H11NO/c1-9(2)8-13-11-6-4-3-5-10(11)7-12/h3-6H,1,8H2,2H3 |
InChIKey | DERBRTIWMTUIMF-UHFFFAOYSA-N |
Molecular Weight | 173.215 g/mol |
SMILES | C(#N)C=1C(OCC(=C)C)=CC=CC1 |
Spectrum/Structure Validation Score (Vapor Phase IR) | 0.929667 |