| SpectraBase Compound ID | 3oXQkt8wdpF |
|---|---|
| InChI | InChI=1S/C12H17NO2/c1-9(13-2)3-4-10-5-6-11-12(7-10)15-8-14-11/h5-7,9,13H,3-4,8H2,1-2H3 |
| InChIKey | IDARAQGFZJPPNW-UHFFFAOYSA-N |
| Mol Weight | 207.27 g/mol |
| Molecular Formula | C12H17NO2 |
| Exact Mass | 207.125929 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | A6YDmLudwAo |
|---|---|
| Name | (3'-Methylaminobutyl)-1,3-benzodioxole |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 207.125928789 u |
| Formula | C12H17NO2 |
| InChI | InChI=1S/C12H17NO2/c1-9(13-2)3-4-10-5-6-11-12(7-10)15-8-14-11/h5-7,9,13H,3-4,8H2,1-2H3 |
| InChIKey | IDARAQGFZJPPNW-UHFFFAOYSA-N |
| Molecular Weight | 207.273 g/mol |
| SMILES | C12=C(C=CC(=C2)CCC(NC)C)OCO1 |