![6,8-Dichloro-3-methyl-3-[(1-pyrrolidinyl)methyl]-4-chromanone](/api/spectrum/HtD79Vi6gx1/structure.png?h=300&w=458 "6,8-Dichloro-3-methyl-3-[(1-pyrrolidinyl)methyl]-4-chromanone")
| SpectraBase Compound ID | CNLWGRpUwzw |
|---|---|
| InChI | InChI=1S/C15H17Cl2NO2/c1-15(8-18-4-2-3-5-18)9-20-13-11(14(15)19)6-10(16)7-12(13)17/h6-7H,2-5,8-9H2,1H3 |
| InChIKey | IMUUYQLKMSLHPT-UHFFFAOYSA-N |
| Mol Weight | 314.21 g/mol |
| Molecular Formula | C15H17Cl2NO2 |
| Exact Mass | 313.063634 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | HtD79Vi6gx1 |
|---|---|
| Name | 6,8-Dichloro-3-methyl-3-[(1-pyrrolidinyl)methyl]-4-chromanone |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 313.063634189 u |
| Formula | C15H17Cl2NO2 |
| InChI | InChI=1S/C15H17Cl2NO2/c1-15(8-18-4-2-3-5-18)9-20-13-11(14(15)19)6-10(16)7-12(13)17/h6-7H,2-5,8-9H2,1H3 |
| InChIKey | IMUUYQLKMSLHPT-UHFFFAOYSA-N |
| Molecular Weight | 314.212 g/mol |
| SMILES | C=12C=C(C=C(C1OCC(C2=O)(CN1CCCC1)C)Cl)Cl |