| SpectraBase Compound ID | 4DaOJC41gTw |
|---|---|
| InChI | InChI=1S/C24H31NO.ClH/c1-3-23(26)24(21-13-7-4-8-14-21,22-15-9-5-10-16-22)19-20(2)25-17-11-6-12-18-25;/h4-5,7-10,13-16,20H,3,6,11-12,17-19H2,1-2H3;1H |
| InChIKey | DTXPDSQEMZRBBG-UHFFFAOYSA-N |
| Mol Weight | 385.98 g/mol |
| Molecular Formula | C24H32ClNO |
| Exact Mass | 385.217242 g/mol |
Raman Spectrum
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| SpectraBase Spectrum ID | AbeNZTHTKye |
|---|---|
| Name | Dipipanone HC l inkbr |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 385.217242353 u |
| Formula | C24H32ClNO |
| InChI | InChI=1S/C24H31NO.ClH/c1-3-23(26)24(21-13-7-4-8-14-21,22-15-9-5-10-16-22)19-20(2)25-17-11-6-12-18-25;/h4-5,7-10,13-16,20H,3,6,11-12,17-19H2,1-2H3;1H |
| InChIKey | DTXPDSQEMZRBBG-UHFFFAOYSA-N |
| Molecular Weight | 385.979 g/mol |
| SMILES | C1=CC=CC=C1C(C=1C=CC=CC1)(CC(N1CCCCC1)C)C(=O)CC.Cl |
| Spectrum/Structure Validation Score (Raman) | 0.991363 |