| SpectraBase Compound ID | 9gVFF0fX6lM |
|---|---|
| InChI | InChI=1S/C28H36N2O4/c1-5-17-16-30-9-7-19-13-27(33-3)28(34-4)15-22(19)24(30)11-20(17)10-23-21-14-26(32-2)25(31)12-18(21)6-8-29-23/h12-15,17,20,24,31H,5-11,16H2,1-4H3/t17-,20-,24-/m0/s1 |
| InChIKey | NCALAYAMQHIWMN-REIDKSKDSA-N |
| Mol Weight | 464.6 g/mol |
| Molecular Formula | C28H36N2O4 |
| Exact Mass | 464.267508 g/mol |
Vapor Phase (Gas) Infrared Spectrum
View the Full Spectrum for FREE!
The full spectrum can only be viewed using a FREE account.
| SpectraBase Spectrum ID | DcSaCEzm9zz |
|---|---|
| Name | Psychotrine |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 464.267507643 u |
| Formula | C28H36N2O4 |
| InChI | InChI=1S/C28H36N2O4/c1-5-17-16-30-9-7-19-13-27(33-3)28(34-4)15-22(19)24(30)11-20(17)10-23-21-14-26(32-2)25(31)12-18(21)6-8-29-23/h12-15,17,20,24,31H,5-11,16H2,1-4H3/t17-,20-,24-/m0/s1 |
| InChIKey | NCALAYAMQHIWMN-REIDKSKDSA-N |
| Molecular Weight | 464.606 g/mol |
| SMILES | [C@@]12(N(CCC3=CC(=C(C=C23)OC)OC)C[C@@]([C@](C1)(CC=1C2=CC(OC)=C(C=C2CCN1)O)[H])(CC)[H])[H] |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.890421 |