| SpectraBase Compound ID | 3StT4vmUQDG |
|---|---|
| InChI | InChI=1S/C21H41NO4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-20(22(25)26)18-19-21(23)24/h20H,2-19H2,1H3,(H,23,24) |
| InChIKey | GIPVRMKDDQKWSN-UHFFFAOYSA-N |
| Mol Weight | 371.6 g/mol |
| Molecular Formula | C21H41NO4 |
| Exact Mass | 371.303559 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | 5L7ZLw3AdJ6 |
|---|---|
| Name | 4-Nitrohenicosanoic acid |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C21H41NO4 |
| InChI | InChI=1S/C21H41NO4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-20(22(25)26)18-19-21(23)24/h20H,2-19H2,1H3,(H,23,24) |
| InChIKey | GIPVRMKDDQKWSN-UHFFFAOYSA-N |
| Molecular Weight | 371.562 g/mol |
| SMILES | OC(CCC([N+]([O-])=O)CCCCCCCCCCCCCCCCC)=O |
| SPLASH | splash10-07c2-9501000000-f049ebd9f1165232c6d1 |
| Source of Spectrum | SO-0-455-6 |
| Wiley ID | 864226 |