| SpectraBase Compound ID | HcAwve6Lyki |
|---|---|
| InChI | InChI=1S/C19H23NO3/c1-21-15-5-4-14-7-9-20-8-6-13-10-17(22-2)18(23-3)11-16(13)19(14,20)12-15/h4-5,7,10-11,15H,6,8-9,12H2,1-3H3/t15-,19-/m0/s1 |
| InChIKey | WXVSPYOOFCCEII-KXBFYZLASA-N |
| Mol Weight | 313.4 g/mol |
| Molecular Formula | C19H23NO3 |
| Exact Mass | 313.167794 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | DBxa4GqzVF |
|---|---|
| Name | (+)-erysotrine |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 313.167793602 u |
| Formula | C19H23NO3 |
| InChI | InChI=1S/C19H23NO3/c1-21-15-5-4-14-7-9-20-8-6-13-10-17(22-2)18(23-3)11-16(13)19(14,20)12-15/h4-5,7,10-11,15H,6,8-9,12H2,1-3H3/t15-,19-/m0/s1 |
| InChIKey | WXVSPYOOFCCEII-KXBFYZLASA-N |
| Molecular Weight | 313.397 g/mol |
| SMILES | [C@]123N(CCC=4C3=CC(=C(C4)OC)OC)CC=C2C=C[C@@](C1)(OC)[H] |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.900179 |