| SpectraBase Compound ID | GtNVVr2hMcQ |
|---|---|
| InChI | InChI=1S/C20H23NO3/c1-15(14-22)21-20(24)8-4-7-19(23)12-10-16-9-11-17-5-2-3-6-18(17)13-16/h2-3,5-6,9-13,15,22H,4,7-8,14H2,1H3,(H,21,24)/b12-10+/t15-/m0/s1 |
| InChIKey | MQJXJQTUPITOHG-PABFRNLHSA-N |
| Mol Weight | 325.41 g/mol |
| Molecular Formula | C20H23NO3 |
| Exact Mass | 325.167794 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | HeixgXHJXJn |
|---|---|
| Name | (E)-7-Naphthalen-2-yl-5-oxohept-6-enoic acid (2-hydroxy)-1(R)-methylethanolamide |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 325.167793602 u |
| Formula | C20H23NO3 |
| InChI | InChI=1S/C20H23NO3/c1-15(14-22)21-20(24)8-4-7-19(23)12-10-16-9-11-17-5-2-3-6-18(17)13-16/h2-3,5-6,9-13,15,22H,4,7-8,14H2,1H3,(H,21,24)/b12-10+/t15-/m0/s1 |
| InChIKey | MQJXJQTUPITOHG-PABFRNLHSA-N |
| Molecular Weight | 325.408 g/mol |
| SMILES | C(N[C@](CO)(C)[H])(=O)CCCC(\C=C\C1=CC2=CC=CC=C2C=C1)=O |