| SpectraBase Compound ID | mmS4Gu3Huy |
|---|---|
| InChI | InChI=1S/C19H29NO3/c1-4-15(2)9-7-5-6-8-10-19(22)20-14-16-11-12-17(21)18(13-16)23-3/h7,9,11-13,15,21H,4-6,8,10,14H2,1-3H3,(H,20,22)/b9-7+ |
| InChIKey | MLJGZARGNROKAC-VQHVLOKHSA-N |
| Mol Weight | 319.45 g/mol |
| Molecular Formula | C19H29NO3 |
| Exact Mass | 319.214744 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 2PDu1f8ZJMM |
|---|---|
| Name | Homocapsaicin |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 319.214743795 u |
| Formula | C19H29NO3 |
| InChI | InChI=1S/C19H29NO3/c1-4-15(2)9-7-5-6-8-10-19(22)20-14-16-11-12-17(21)18(13-16)23-3/h7,9,11-13,15,21H,4-6,8,10,14H2,1-3H3,(H,20,22)/b9-7+ |
| InChIKey | MLJGZARGNROKAC-VQHVLOKHSA-N |
| Molecular Weight | 319.445 g/mol |
| SMILES | C1(=CC=C(C=C1OC)CNC(CCCC\C=C\C(CC)C)=O)O |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.96906 |