| SpectraBase Compound ID | IVmUdIA1EVw |
|---|---|
| InChI | InChI=1S/C14H17NO5/c1-9(15(10(2)16)20-11(3)17)6-12-4-5-13-14(7-12)19-8-18-13/h4-5,7,9H,6,8H2,1-3H3 |
| InChIKey | BNIYLCLCFJDDMK-UHFFFAOYSA-N |
| Mol Weight | 279.29 g/mol |
| Molecular Formula | C14H17NO5 |
| Exact Mass | 279.110673 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 19Joaa3cnxA |
|---|---|
| Name | N-Acetyl-N-acetoxy-3,4-methylenedioxyamphetamine |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 279.110672646 u |
| Formula | C14H17NO5 |
| InChI | InChI=1S/C14H17NO5/c1-9(15(10(2)16)20-11(3)17)6-12-4-5-13-14(7-12)19-8-18-13/h4-5,7,9H,6,8H2,1-3H3 |
| InChIKey | BNIYLCLCFJDDMK-UHFFFAOYSA-N |
| SMILES | C(N(OC(=O)C)C(=O)C)(C)CC1=CC2=C(C=C1)OCO2 |