![1-(Benzo[D][1,3]dioxol-4-yl)-2-(dimethylamino)butan-1-one](/api/spectrum/3bbcFfvhul2/structure.png?h=300&w=458 "1-(Benzo[D][1,3]dioxol-4-yl)-2-(dimethylamino)butan-1-one")
| SpectraBase Compound ID | 3XNh7sjOFTF |
|---|---|
| InChI | InChI=1S/C13H17NO3/c1-4-10(14(2)3)12(15)9-6-5-7-11-13(9)17-8-16-11/h5-7,10H,4,8H2,1-3H3 |
| InChIKey | BAWRTEDSEUFMON-UHFFFAOYSA-N |
| Mol Weight | 235.28 g/mol |
| Molecular Formula | C13H17NO3 |
| Exact Mass | 235.120843 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 3bbcFfvhul2 |
|---|---|
| Name | 1-(Benzo[D][1,3]dioxol-4-yl)-2-(dimethylamino)butan-1-one |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 235.120843408 u |
| Formula | C13H17NO3 |
| InChI | InChI=1S/C13H17NO3/c1-4-10(14(2)3)12(15)9-6-5-7-11-13(9)17-8-16-11/h5-7,10H,4,8H2,1-3H3 |
| InChIKey | BAWRTEDSEUFMON-UHFFFAOYSA-N |
| Molecular Weight | 235.283 g/mol |
| SMILES | C12=CC=CC(=C2OCO1)C(C(N(C)C)CC)=O |