| SpectraBase Compound ID | DTZRgXwjulK |
|---|---|
| InChI | InChI=1S/C15H15NO2/c16-13(12-4-2-1-3-5-12)8-11-6-7-14-15(9-11)18-10-17-14/h1-7,9,13H,8,10,16H2 |
| InChIKey | UYTHWQMJKBSROW-UHFFFAOYSA-N |
| Mol Weight | 241.29 g/mol |
| Molecular Formula | C15H15NO2 |
| Exact Mass | 241.110279 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | CgXkRr1U35L |
|---|---|
| Name | 3-(3',4'-Methylenedioxyphenyl)-1-phenylethanamine |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 241.110278725 u |
| Formula | C15H15NO2 |
| InChI | InChI=1S/C15H15NO2/c16-13(12-4-2-1-3-5-12)8-11-6-7-14-15(9-11)18-10-17-14/h1-7,9,13H,8,10,16H2 |
| InChIKey | UYTHWQMJKBSROW-UHFFFAOYSA-N |
| Molecular Weight | 241.290 g/mol |
| SMILES | C12=C(OCO2)C=CC(=C1)CC(C1=CC=CC=C1)N |