| SpectraBase Compound ID | KSBe3vxJSdz |
|---|---|
| InChI | InChI=1S/C20H23NO3/c1-3-21(4-2)13-14-23-20(22)19-15-9-5-7-11-17(15)24-18-12-8-6-10-16(18)19/h5-12,19H,3-4,13-14H2,1-2H3 |
| InChIKey | HIGMQFBAGGGECD-UHFFFAOYSA-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 | B5RH6EXcGIG |
|---|---|
| Name | .beta.-Diethylaminoethylxathene-9-carboxylate |
| 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/c1-3-21(4-2)13-14-23-20(22)19-15-9-5-7-11-17(15)24-18-12-8-6-10-16(18)19/h5-12,19H,3-4,13-14H2,1-2H3 |
| InChIKey | HIGMQFBAGGGECD-UHFFFAOYSA-N |
| Molecular Weight | 325.408 g/mol |
| SMILES | C12=C(C(C=3C(O2)=CC=CC3)C(OCCN(CC)CC)=O)C=CC=C1 |