![2-[(3',4'-Dimethoxyphenyl)methyl]cyclopentanone](/api/spectrum/5p4wayVFAcc/structure.png?h=300&w=458 "2-[(3',4'-Dimethoxyphenyl)methyl]cyclopentanone")
| SpectraBase Compound ID | 9rLHcW9LRoZ |
|---|---|
| InChI | InChI=1S/C14H18O3/c1-16-13-7-6-10(9-14(13)17-2)8-11-4-3-5-12(11)15/h6-7,9,11H,3-5,8H2,1-2H3 |
| InChIKey | ZRRBVSHYZVVRDU-UHFFFAOYSA-N |
| Mol Weight | 234.29 g/mol |
| Molecular Formula | C14H18O3 |
| Exact Mass | 234.125594 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 5p4wayVFAcc |
|---|---|
| Name | 2-[(3',4'-Dimethoxyphenyl)methyl]cyclopentanone |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 234.125594437 u |
| Formula | C14H18O3 |
| InChI | InChI=1S/C14H18O3/c1-16-13-7-6-10(9-14(13)17-2)8-11-4-3-5-12(11)15/h6-7,9,11H,3-5,8H2,1-2H3 |
| InChIKey | ZRRBVSHYZVVRDU-UHFFFAOYSA-N |
| Molecular Weight | 234.295 g/mol |
| SMILES | C=1(C(=CC=C(CC2C(=O)CCC2)C1)OC)OC |