| SpectraBase Compound ID | 3ElibW7wOKa |
|---|---|
| InChI | InChI=1S/C21H21NO2/c1-4-11-19(21(23)24-16(2)3)22-20(17-12-7-5-8-13-17)18-14-9-6-10-15-18/h1,5-10,12-16,19H,11H2,2-3H3 |
| InChIKey | RUDPJSCUQLRKSL-UHFFFAOYSA-N |
| Mol Weight | 319.4 g/mol |
| Molecular Formula | C21H21NO2 |
| Exact Mass | 319.157229 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | KBsSdw5MC0A |
|---|---|
| Name | Isopropyl 2-(diphenylmethyleneamino)pent-4-ynoate |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 319.157228918 u |
| Formula | C21H21NO2 |
| InChI | InChI=1S/C21H21NO2/c1-4-11-19(21(23)24-16(2)3)22-20(17-12-7-5-8-13-17)18-14-9-6-10-15-18/h1,5-10,12-16,19H,11H2,2-3H3 |
| InChIKey | RUDPJSCUQLRKSL-UHFFFAOYSA-N |
| Molecular Weight | 319.404 g/mol |
| SMILES | C(C(CC#C)N=C(C=1C=CC=CC1)C=1C=CC=CC1)(=O)OC(C)C |