| SpectraBase Compound ID | IqasSBnt6X2 |
|---|---|
| InChI | InChI=1S/C14H15NO7/c16-6-1-5-4-2-7-13(22-3-21-7)11(18)8(4)14(20)15-9(5)12(19)10(6)17/h2,5-6,9-10,12,16-19H,1,3H2,(H,15,20)/t5-,6-,9+,10+,12-/m0/s1 |
| InChIKey | SBTGHBALOCEVOR-GUHAZCHASA-N |
| Mol Weight | 309.27 g/mol |
| Molecular Formula | C14H15NO7 |
| Exact Mass | 309.084852 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | E7C4nWEdMZC |
|---|---|
| Name | cis-1,10B-Dihydronarciclasine |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 309.084851820 u |
| Formula | C14H15NO7 |
| InChI | InChI=1S/C14H15NO7/c16-6-1-5-4-2-7-13(22-3-21-7)11(18)8(4)14(20)15-9(5)12(19)10(6)17/h2,5-6,9-10,12,16-19H,1,3H2,(H,15,20)/t5-,6-,9+,10+,12-/m0/s1 |
| InChIKey | SBTGHBALOCEVOR-GUHAZCHASA-N |
| Molecular Weight | 309.274 g/mol |
| SMILES | C1(=O)C=2C(=C3C(=CC2[C@@]2([H])[C@]([H])([C@@]([C@@]([C@@](O)(C2)[H])(O)[H])(O)[H])N1)OCO3)O |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.825711 |