| SpectraBase Compound ID | 3ufHSYvF3Dh |
|---|---|
| InChI | InChI=1S/C20H31NO3/c1-16(2)10-8-6-4-5-7-9-11-20(23)21-15-17-12-13-18(22)19(14-17)24-3/h8,10,12-14,16,22H,4-7,9,11,15H2,1-3H3,(H,21,23)/b10-8+ |
| InChIKey | UXWRCZZSRVQXRX-CSKARUKUSA-N |
| Mol Weight | 333.47 g/mol |
| Molecular Formula | C20H31NO3 |
| Exact Mass | 333.230394 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | HLTwATDSZOz |
|---|---|
| Name | (E)-N-(4-Hydroxy-3-methoxybenzyl)-10-methyl-8-undecenamide (bishomocapsaicin) |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 333.230393859 u |
| Formula | C20H31NO3 |
| InChI | InChI=1S/C20H31NO3/c1-16(2)10-8-6-4-5-7-9-11-20(23)21-15-17-12-13-18(22)19(14-17)24-3/h8,10,12-14,16,22H,4-7,9,11,15H2,1-3H3,(H,21,23)/b10-8+ |
| InChIKey | UXWRCZZSRVQXRX-CSKARUKUSA-N |
| Molecular Weight | 333.472 g/mol |
| SMILES | C=1(C(=CC=C(C1)CNC(=O)CCCCCC\C=C\C(C)C)O)OC |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.964619 |