| SpectraBase Compound ID | 7okvOBg65JH |
|---|---|
| InChI | InChI=1S/C9H17NO/c11-7-8-3-1-5-10-6-2-4-9(8)10/h8-9,11H,1-7H2/t8-,9-/m1/s1 |
| InChIKey | DATGBSBEMJWBMW-RKDXNWHRSA-N |
| Mol Weight | 155.24 g/mol |
| Molecular Formula | C9H17NO |
| Exact Mass | 155.131014 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | gLOD751yym |
|---|---|
| Name | (+)-taschiromine |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 155.131014170 u |
| Formula | C9H17NO |
| InChI | InChI=1S/C9H17NO/c11-7-8-3-1-5-10-6-2-4-9(8)10/h8-9,11H,1-7H2/t8-,9-/m1/s1 |
| InChIKey | DATGBSBEMJWBMW-RKDXNWHRSA-N |
| Molecular Weight | 155.241 g/mol |
| SMILES | C1N2CCC[C@@]2([C@](CC1)(CO)[H])[H] |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.865362 |