![6-(1,3-Benzodioxol-5-yl)-8-ethyl-7-hydroxymethyl-9-phenyl-1,8-diazaspiro[4.4]nonane](/api/spectrum/DbAxfd2NIl/structure.png?h=300&w=458 "6-(1,3-Benzodioxol-5-yl)-8-ethyl-7-hydroxymethyl-9-phenyl-1,8-diazaspiro[4.4]nonane")
| SpectraBase Compound ID | 2cAvRL1pkWE |
|---|---|
| InChI | InChI=1S/C23H28N2O3/c1-2-25-18(14-26)21(17-9-10-19-20(13-17)28-15-27-19)23(11-6-12-24-23)22(25)16-7-4-3-5-8-16/h3-5,7-10,13,18,21-22,24,26H,2,6,11-12,14-15H2,1H3/t18-,21+,22+,23+/m1/s1 |
| InChIKey | PDOLTINZFWBDPS-PVSGBFIBSA-N |
| Mol Weight | 380.49 g/mol |
| Molecular Formula | C23H28N2O3 |
| Exact Mass | 380.209993 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | DbAxfd2NIl |
|---|---|
| Name | 6-(1,3-Benzodioxol-5-yl)-8-ethyl-7-hydroxymethyl-9-phenyl-1,8-diazaspiro[4.4]nonane |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 380.209992767 u |
| Formula | C23H28N2O3 |
| InChI | InChI=1S/C23H28N2O3/c1-2-25-18(14-26)21(17-9-10-19-20(13-17)28-15-27-19)23(11-6-12-24-23)22(25)16-7-4-3-5-8-16/h3-5,7-10,13,18,21-22,24,26H,2,6,11-12,14-15H2,1H3/t18-,21+,22+,23+/m1/s1 |
| InChIKey | PDOLTINZFWBDPS-PVSGBFIBSA-N |
| Molecular Weight | 380.488 g/mol |
| SMILES | [C@]1(N([C@]([C@]2([C@]1(C=1C=C3OCOC3=CC1)[H])NCCC2)(C=1C=CC=CC1)[H])CC)(CO)[H] |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.904514 |