| SpectraBase Compound ID | JELSY4KYpZR |
|---|---|
| InChI | InChI=1S/C19H25NO4/c1-22-16-8-12-4-6-20-7-5-13-9-15(21)18(24-3)11-19(13,20)14(12)10-17(16)23-2/h8-10,15,18,21H,4-7,11H2,1-3H3/t15-,18+,19-/m0/s1 |
| InChIKey | YUWBVDCNLWYPIU-IPELMVKDSA-N |
| Mol Weight | 331.41 g/mol |
| Molecular Formula | C19H25NO4 |
| Exact Mass | 331.178358 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | FnLakSzebWH |
|---|---|
| Name | (+)-erythratidine |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 331.178358285 u |
| Formula | C19H25NO4 |
| InChI | InChI=1S/C19H25NO4/c1-22-16-8-12-4-6-20-7-5-13-9-15(21)18(24-3)11-19(13,20)14(12)10-17(16)23-2/h8-10,15,18,21H,4-7,11H2,1-3H3/t15-,18+,19-/m0/s1 |
| InChIKey | YUWBVDCNLWYPIU-IPELMVKDSA-N |
| Molecular Weight | 331.412 g/mol |
| SMILES | [C@@]123N(CCC3=C[C@@]([C@@](C1)(OC)[H])(O)[H])CCC=1C2=CC(=C(C1)OC)OC |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.874588 |