![2-[(1R)-1'-(Phenylethyl)prop-2'-yn-1'-yl]-1H-isoindole-1,3(2H)-dione](/api/spectrum/DS60YtlPTcR/structure.png?h=300&w=458 "2-[(1R)-1'-(Phenylethyl)prop-2'-yn-1'-yl]-1H-isoindole-1,3(2H)-dione")
| SpectraBase Compound ID | IdSk3fV3FDj |
|---|---|
| InChI | InChI=1S/C19H15NO2/c1-2-15(13-12-14-8-4-3-5-9-14)20-18(21)16-10-6-7-11-17(16)19(20)22/h1,3-11,15H,12-13H2/t15-/m0/s1 |
| InChIKey | VTWVVULTTBISCB-HNNXBMFYSA-N |
| Mol Weight | 289.33 g/mol |
| Molecular Formula | C19H15NO2 |
| Exact Mass | 289.110279 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | DS60YtlPTcR |
|---|---|
| Name | 2-[(1R)-1'-(Phenylethyl)prop-2'-yn-1'-yl]-1H-isoindole-1,3(2H)-dione |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 289.110278725 u |
| Formula | C19H15NO2 |
| InChI | InChI=1S/C19H15NO2/c1-2-15(13-12-14-8-4-3-5-9-14)20-18(21)16-10-6-7-11-17(16)19(20)22/h1,3-11,15H,12-13H2/t15-/m0/s1 |
| InChIKey | VTWVVULTTBISCB-HNNXBMFYSA-N |
| SMILES | C1(N(C(C=2C=CC=CC12)=O)[C@@](C#C)(CCC=1C=CC=CC1)[H])=O |