| SpectraBase Compound ID | 5RpbUEopEsz |
|---|---|
| InChI | InChI=1S/C17H15NO2/c1-2-5-14(6-3-1)7-4-10-18-12-15-8-9-16-17(11-15)20-13-19-16/h1-3,5-6,8-9,11,18H,10,12-13H2 |
| InChIKey | QHRPUMISCUNQQY-UHFFFAOYSA-N |
| Mol Weight | 265.31 g/mol |
| Molecular Formula | C17H15NO2 |
| Exact Mass | 265.110279 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | HlEh8spjuJ3 |
|---|---|
| Name | 1,3-Benzodioxole-5-methanamine, N-(3-phenyl-2-propynyl)- |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 265.110278725 u |
| Formula | C17H15NO2 |
| InChI | InChI=1S/C17H15NO2/c1-2-5-14(6-3-1)7-4-10-18-12-15-8-9-16-17(11-15)20-13-19-16/h1-3,5-6,8-9,11,18H,10,12-13H2 |
| InChIKey | QHRPUMISCUNQQY-UHFFFAOYSA-N |
| Molecular Weight | 265.312 g/mol |
| SMILES | C(#CCNCC=1C=C2OCOC2=CC1)C=1C=CC=CC1 |