![Ethyl (2-acetamido-3-(benzo[D][1,3]dioxol-5-yl)propanoyl)glycinate](/api/spectrum/Hv9deILBwoR/structure.png?h=300&w=458 "Ethyl (2-acetamido-3-(benzo[D][1,3]dioxol-5-yl)propanoyl)glycinate")
| SpectraBase Compound ID | KbiMLpSIhEJ |
|---|---|
| InChI | InChI=1S/C16H20N2O6/c1-3-22-15(20)8-17-16(21)12(18-10(2)19)6-11-4-5-13-14(7-11)24-9-23-13/h4-5,7,12H,3,6,8-9H2,1-2H3,(H,17,21)(H,18,19) |
| InChIKey | ILDRYDLECMQUNF-UHFFFAOYSA-N |
| Mol Weight | 336.34 g/mol |
| Molecular Formula | C16H20N2O6 |
| Exact Mass | 336.132136 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | Hv9deILBwoR |
|---|---|
| Name | Ethyl (2-acetamido-3-(benzo[D][1,3]dioxol-5-yl)propanoyl)glycinate |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 336.132136366 u |
| Formula | C16H20N2O6 |
| InChI | InChI=1S/C16H20N2O6/c1-3-22-15(20)8-17-16(21)12(18-10(2)19)6-11-4-5-13-14(7-11)24-9-23-13/h4-5,7,12H,3,6,8-9H2,1-2H3,(H,17,21)(H,18,19) |
| InChIKey | ILDRYDLECMQUNF-UHFFFAOYSA-N |
| Molecular Weight | 336.344 g/mol |
| SMILES | C(CNC(C(CC1=CC=C2OCOC2=C1)NC(C)=O)=O)(=O)OCC |