![alpha-[(alpha-Amino-3,4-(methylenedioxy)phenethyl]benzyl alcohol](/api/spectrum/ASnkfAqyebb/structure.png?h=300&w=458 "alpha-[(alpha-Amino-3,4-(methylenedioxy)phenethyl]benzyl alcohol")
| SpectraBase Compound ID | 4EdBz2Af3nv |
|---|---|
| InChI | InChI=1S/C16H17NO3/c17-13(16(18)12-4-2-1-3-5-12)8-11-6-7-14-15(9-11)20-10-19-14/h1-7,9,13,16,18H,8,10,17H2 |
| InChIKey | PBOGGDJSLFBQAS-UHFFFAOYSA-N |
| Mol Weight | 271.32 g/mol |
| Molecular Formula | C16H17NO3 |
| Exact Mass | 271.120843 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | ASnkfAqyebb |
|---|---|
| Name | alpha-[(alpha-Amino-3,4-(methylenedioxy)phenethyl]benzyl alcohol |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 271.120843408 u |
| Formula | C16H17NO3 |
| InChI | InChI=1S/C16H17NO3/c17-13(16(18)12-4-2-1-3-5-12)8-11-6-7-14-15(9-11)20-10-19-14/h1-7,9,13,16,18H,8,10,17H2 |
| InChIKey | PBOGGDJSLFBQAS-UHFFFAOYSA-N |
| Molecular Weight | 271.316 g/mol |
| SMILES | NC(C(O)C=1C=CC=CC1)CC1=CC2=C(C=C1)OCO2 |