SpectraBase Compound ID | AqtkXw0MjNr |
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InChI | InChI=1S/C11H11NO2/c1-2-7-14-11(13)10-6-4-3-5-9(10)8-12/h3-6H,2,7H2,1H3 |
InChIKey | CPWFWOAPHHXQAP-UHFFFAOYSA-N |
Mol Weight | 189.21 g/mol |
Molecular Formula | C11H11NO2 |
Exact Mass | 189.078979 g/mol |
SpectraBase Spectrum ID | SBM40K2Vdm |
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Name | Propyl 2-cyanobenzoate |
Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
Formula | C11H11NO2 |
InChI | InChI=1S/C11H11NO2/c1-2-7-14-11(13)10-6-4-3-5-9(10)8-12/h3-6H,2,7H2,1H3 |
InChIKey | CPWFWOAPHHXQAP-UHFFFAOYSA-N |
Literature Reference DOI | 10.1021/ol5026519 |
Molecular Weight | 189.214 g/mol |
SMILES | c1cc(C#N)c(cc1)C(=O)OCCC |
SPLASH | splash10-001i-0900000000-a2f512cab4f6ccc19465 |
Source of Spectrum | A1-16-5220/SMS3-2c |
Wiley ID | 1751392 |