| SpectraBase Compound ID | 6OPNwmKphPU |
|---|---|
| InChI | InChI=1S/C14H17NO3/c1-4-7-15(3)10(2)14(16)11-5-6-12-13(8-11)18-9-17-12/h4-6,8,10H,1,7,9H2,2-3H3 |
| InChIKey | TTZYRCQMBVFFQQ-UHFFFAOYSA-N |
| Mol Weight | 247.29 g/mol |
| Molecular Formula | C14H17NO3 |
| Exact Mass | 247.120843 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 8leqTJ0eFPW |
|---|---|
| Name | N-Allylmethylone |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 247.120843408 u |
| Formula | C14H17NO3 |
| InChI | InChI=1S/C14H17NO3/c1-4-7-15(3)10(2)14(16)11-5-6-12-13(8-11)18-9-17-12/h4-6,8,10H,1,7,9H2,2-3H3 |
| InChIKey | TTZYRCQMBVFFQQ-UHFFFAOYSA-N |
| Molecular Weight | 247.294 g/mol |
| SMILES | C=1(C(C(N(CC=C)C)C)=O)C=C2C(=CC1)OCO2 |