| SpectraBase Compound ID | LAJ3SYSC6u9 |
|---|---|
| InChI | InChI=1S/C16H23NO3/c1-12(2)6-4-5-7-16(19)17-11-13-8-9-14(18)15(10-13)20-3/h4,6,8-10,12,18H,5,7,11H2,1-3H3,(H,17,19)/b6-4+ |
| InChIKey | UTTHCQMKBGTYNK-GQCTYLIASA-N |
| Mol Weight | 277.36 g/mol |
| Molecular Formula | C16H23NO3 |
| Exact Mass | 277.167794 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 5jpmUG6UWyf |
|---|---|
| Name | (E)-6-Methyl-N-vanillyl-hept-4-enamide |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 277.167793602 u |
| Formula | C16H23NO3 |
| InChI | InChI=1S/C16H23NO3/c1-12(2)6-4-5-7-16(19)17-11-13-8-9-14(18)15(10-13)20-3/h4,6,8-10,12,18H,5,7,11H2,1-3H3,(H,17,19)/b6-4+ |
| InChIKey | UTTHCQMKBGTYNK-GQCTYLIASA-N |
| SMILES | C=1(C(=CC=C(C1)CNC(=O)CC\C=C\C(C)C)O)OC |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.86888 |