| SpectraBase Compound ID | 6RwQzzBfBQs |
|---|---|
| InChI | InChI=1S/C14H17NO5/c1-3-19-14(17)12-11(20-12)13(16)15-8-9-4-6-10(18-2)7-5-9/h4-7,11-12H,3,8H2,1-2H3,(H,15,16)/t11-,12+/m0/s1 |
| InChIKey | XPVRJTWDOVNHIF-NWDGAFQWSA-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 | HczBuGpmT9L |
|---|---|
| Name | 4-N-(p-Methoxybenzyl)-1-ethyl-(cis)-2,3-epoxysuccinamate |
| 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/c1-3-19-14(17)12-11(20-12)13(16)15-8-9-4-6-10(18-2)7-5-9/h4-7,11-12H,3,8H2,1-2H3,(H,15,16)/t11-,12+/m0/s1 |
| InChIKey | XPVRJTWDOVNHIF-NWDGAFQWSA-N |
| SMILES | [C@@]1([C@](C(=O)OCC)(O1)[H])(C(NCC=1C=CC(=CC1)OC)=O)[H] |