| SpectraBase Compound ID | 6fVERnwpJh8 |
|---|---|
| InChI | InChI=1S/C21H27NO3/c1-14(2)18-13-19(24-4)16(12-20(18)25-5)10-11-22-21(23)17-9-7-6-8-15(17)3/h6-9,12-14H,10-11H2,1-5H3,(H,22,23) |
| InChIKey | SRTPSFWFHJIVOK-UHFFFAOYSA-N |
| Mol Weight | 341.45 g/mol |
| Molecular Formula | C21H27NO3 |
| Exact Mass | 341.199094 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
Subscribe to view the full spectrum.
The full spectrum can only be viewed using a FREE account.
| SpectraBase Spectrum ID | 2nEcAhJPUdW |
|---|---|
| Name | 2C-ip 2-Toluoyl |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 341.199093730 u |
| Formula | C21H27NO3 |
| InChI | InChI=1S/C21H27NO3/c1-14(2)18-13-19(24-4)16(12-20(18)25-5)10-11-22-21(23)17-9-7-6-8-15(17)3/h6-9,12-14H,10-11H2,1-5H3,(H,22,23) |
| InChIKey | SRTPSFWFHJIVOK-UHFFFAOYSA-N |
| Molecular Weight | 341.451 g/mol |
| SMILES | C1(=C(C=C(C(=C1)OC)CCNC(C=1C(=CC=CC1)C)=O)OC)C(C)C |