| SpectraBase Compound ID | 8GDiYpiONeb |
|---|---|
| InChI | InChI=1S/C16H21NO3/c1-4-5-6-7-8-12-9-13(10-17)11(2)14(15(12)18)16(19)20-3/h9,18H,4-8H2,1-3H3 |
| InChIKey | IWSOCCVKRFPBKN-UHFFFAOYSA-N |
| Mol Weight | 275.35 g/mol |
| Molecular Formula | C16H21NO3 |
| Exact Mass | 275.152144 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | 2PsNrGWx9qg |
|---|---|
| Name | Methyl 3-Cyano-5-hexyl-6-hydroxy-2-methylbenzoate |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C16H21NO3 |
| InChI | InChI=1S/C16H21NO3/c1-4-5-6-7-8-12-9-13(10-17)11(2)14(15(12)18)16(19)20-3/h9,18H,4-8H2,1-3H3 |
| InChIKey | IWSOCCVKRFPBKN-UHFFFAOYSA-N |
| Molecular Weight | 275.348 g/mol |
| SMILES | Oc1c(c(c(C#N)cc1CCCCCC)C)C(=O)OC |
| SPLASH | splash10-00di-0960000000-5629dc868b0c52cfb8ff |
| Source of Spectrum | F4-41-1627-4f |
| Wiley ID | 1672339 |