| SpectraBase Compound ID | KT5RnCqpYkp |
|---|---|
| InChI | InChI=1S/C19H26N2O3.ClH/c1-12-5-6-15-13(11-12)19(2)9-7-14(22)17(18(19)24-15)20-16(23)8-10-21(3)4;/h5-6,11,17-18H,7-10H2,1-4H3,(H,20,23);1H/t17-,18-,19-;/m1./s1 InChI=1S/C19H26N2O3.ClH/c1-12-5-6-15-13(11-12)19(2)9-7-14(22)17(18(19)24-15)20-16(23)8-10-21(3)4;/h5-6,11,17-18H,7-10H2,1-4H3,(H,20,23);1H/t17-,18-,19-;/m0./s1 |
| InChIKey | DUSDTMAKAHTBJT-OYXQGUJPSA-N |
| Mol Weight | 366.89 g/mol |
| Molecular Formula | C19H27ClN2O3 |
| Exact Mass | 366.17102 g/mol |
Raman Spectrum
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| SpectraBase Spectrum ID | FFK4NCGamqK |
|---|---|
| Name | 3-(Dimethylamino)-N-(8,9bbeta-dimethyl-1,2,3,4,4abeta,9B-hexahydro-3-oxo-4A-dibenzofuranyl)propionamide, monohydrochloride |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 366.171020434 u |
| Formula | C19H27ClN2O3 |
| InChI | InChI=1S/C19H26N2O3.ClH/c1-12-5-6-15-13(11-12)19(2)9-7-14(22)17(18(19)24-15)20-16(23)8-10-21(3)4;/h5-6,11,17-18H,7-10H2,1-4H3,(H,20,23);1H/t17-,18-,19-;/m1./s1 |
| InChIKey | DUSDTMAKAHTBJT-OYXQGUJPSA-N |
| SMILES | Cl.N([C@]1([C@]2(OC=3C=CC(=CC3[C@]2(CCC1=O)C)C)[H])[H])C(CCN(C)C)=O |
| Spectrum/Structure Validation Score (Raman) | 0.840776 |