| SpectraBase Compound ID | BM0bt9nGFee |
|---|---|
| InChI | InChI=1S/C18H27NO3/c1-4-5-8-15(19-11-6-7-12-19)18(20)14-9-10-16(21-2)17(13-14)22-3/h9-10,13,15H,4-8,11-12H2,1-3H3 |
| InChIKey | KAWWDIAYCGMAPE-UHFFFAOYSA-N |
| Mol Weight | 305.42 g/mol |
| Molecular Formula | C18H27NO3 |
| Exact Mass | 305.199094 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | tyNUT2sHCs |
|---|---|
| Name | 3,4-Dimethoxy-A-pyrrolidinohexanophenone |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 305.199093730 u |
| Formula | C18H27NO3 |
| InChI | InChI=1S/C18H27NO3/c1-4-5-8-15(19-11-6-7-12-19)18(20)14-9-10-16(21-2)17(13-14)22-3/h9-10,13,15H,4-8,11-12H2,1-3H3 |
| InChIKey | KAWWDIAYCGMAPE-UHFFFAOYSA-N |
| Molecular Weight | 305.418 g/mol |
| SMILES | C(C(=O)C1=CC(OC)=C(C=C1)OC)(CCCC)N1CCCC1 |