| SpectraBase Compound ID | 6792MoKpy70 |
|---|---|
| InChI | InChI=1S/C28H31ClN2O2/c1-30-26(32)28(23-8-4-2-5-9-23,24-10-6-3-7-11-24)18-21-31-19-16-27(33,17-20-31)22-12-14-25(29)15-13-22/h2-15,33H,16-21H2,1H3,(H,30,32) |
| InChIKey | ZMOPTLXEYOVARP-UHFFFAOYSA-N |
| Mol Weight | 463.02 g/mol |
| Molecular Formula | C28H31ClN2O2 |
| Exact Mass | 462.207406 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | JiF8y7Ohmoy |
|---|---|
| Name | N-Desmethyl-ioperamide |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 462.207405944 u |
| Formula | C28H31ClN2O2 |
| InChI | InChI=1S/C28H31ClN2O2/c1-30-26(32)28(23-8-4-2-5-9-23,24-10-6-3-7-11-24)18-21-31-19-16-27(33,17-20-31)22-12-14-25(29)15-13-22/h2-15,33H,16-21H2,1H3,(H,30,32) |
| InChIKey | ZMOPTLXEYOVARP-UHFFFAOYSA-N |
| Molecular Weight | 463.021 g/mol |
| SMILES | C(CCN1CCC(CC1)(O)C1=CC=C(C=C1)Cl)(C(NC)=O)(C1=CC=CC=C1)C1=CC=CC=C1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.946389 |