| SpectraBase Compound ID | 8xTntCqT4G9 |
|---|---|
| InChI | InChI=1S/C16H21NO3/c1-9-10(2)12(4)14(13(5)11(9)3)8-17-15(18)6-7-16(19)20/h6-7H,8H2,1-5H3,(H,17,18)(H,19,20)/b7-6- |
| InChIKey | BKMVOTYYXWUCCW-SREVYHEPSA-N |
| Mol Weight | 275.35 g/mol |
| Molecular Formula | C16H21NO3 |
| Exact Mass | 275.152144 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
View the Full Spectrum for FREE!
The full spectrum can only be viewed using a FREE account.
| SpectraBase Spectrum ID | HuhVbBLFK1y |
|---|---|
| Name | N-(2,3,4,5,6-Pentamethylbenzyl)maleamic acid |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 275.152143537 u |
| Formula | C16H21NO3 |
| InChI | InChI=1S/C16H21NO3/c1-9-10(2)12(4)14(13(5)11(9)3)8-17-15(18)6-7-16(19)20/h6-7H,8H2,1-5H3,(H,17,18)(H,19,20)/b7-6- |
| InChIKey | BKMVOTYYXWUCCW-SREVYHEPSA-N |
| Molecular Weight | 275.348 g/mol |
| SMILES | N(C(\C=C/C(=O)O)=O)CC=1C(C)=C(C)C(C)=C(C1C)C |