| SpectraBase Compound ID | IkWgUFHljbr |
|---|---|
| InChI | InChI=1S/C32H49N3O4/c1-4-6-7-8-9-10-11-12-13-14-15-16-17-18-19-27(25-31(37)38)32(39)33-28-20-22-29(23-21-28)35-30(36)24-26(3)34(35)5-2/h17-18,20-24,27H,4-16,19,25H2,1-3H3,(H,33,39)(H,37,38) |
| InChIKey | IZRLIWWWJBSGAJ-UHFFFAOYSA-N |
| Mol Weight | 539.8 g/mol |
| Molecular Formula | C32H49N3O4 |
| Exact Mass | 539.372307 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 7TzNj7zK9Ul |
|---|---|
| Name | 4'-(2-Ethyl-3-methyl-5-oxo-3-pyrazolin-1-yl)3-(2-hexadecenyl)succinanilic acid |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 539.372307066 u |
| Formula | C32H49N3O4 |
| InChI | InChI=1S/C32H49N3O4/c1-4-6-7-8-9-10-11-12-13-14-15-16-17-18-19-27(25-31(37)38)32(39)33-28-20-22-29(23-21-28)35-30(36)24-26(3)34(35)5-2/h17-18,20-24,27H,4-16,19,25H2,1-3H3,(H,33,39)(H,37,38) |
| InChIKey | IZRLIWWWJBSGAJ-UHFFFAOYSA-N |
| Molecular Weight | 539.761 g/mol |
| SMILES | N(C1=CC=C(C=C1)N1N(C(=CC1=O)C)CC)C(C(CC(=O)O)CC=CCCCCCCCCCCCCC)=O |