| SpectraBase Compound ID | 6hWeeWeGbjx |
|---|---|
| InChI | InChI=1S/C14H17NO3/c1-8(2)7-18-14(17)13-10(4)11(6-15)9(3)5-12(13)16/h5,8,16H,7H2,1-4H3 |
| InChIKey | VTSQJKZYADLDIM-UHFFFAOYSA-N |
| Mol Weight | 247.29 g/mol |
| Molecular Formula | C14H17NO3 |
| Exact Mass | 247.120843 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | 1pZuhmU2rug |
|---|---|
| Name | Isobutyl 3-Cyano-6-hydroxy-2,4-dimethylbenzoate |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C14H17NO3 |
| InChI | InChI=1S/C14H17NO3/c1-8(2)7-18-14(17)13-10(4)11(6-15)9(3)5-12(13)16/h5,8,16H,7H2,1-4H3 |
| InChIKey | VTSQJKZYADLDIM-UHFFFAOYSA-N |
| Molecular Weight | 247.294 g/mol |
| SMILES | Oc1c(c(c(C#N)c(c1)C)C)C(OCC(C)C)=O |
| SPLASH | splash10-00dj-1920000000-0be676575d442208dbf8 |
| Source of Spectrum | F4-41-1633-6c |
| Wiley ID | 1672316 |