| SpectraBase Compound ID | F154xnE6Ntj |
|---|---|
| InChI | InChI=1S/C17H23NO6/c1-3-4-5-11-23-16(19)9-10-17(20)24-12-14-7-6-8-15(13(14)2)18(21)22/h6-8H,3-5,9-12H2,1-2H3 |
| InChIKey | JAOTUGMPCUYTIG-UHFFFAOYSA-N |
| Mol Weight | 337.37 g/mol |
| Molecular Formula | C17H23NO6 |
| Exact Mass | 337.152537 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 | 6XabhQlUTUQ |
|---|---|
| Name | Succinic acid, 2-methyl-3-nitrobenzyl pentyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 337.152537459 u |
| Formula | C17H23NO6 |
| InChI | InChI=1S/C17H23NO6/c1-3-4-5-11-23-16(19)9-10-17(20)24-12-14-7-6-8-15(13(14)2)18(21)22/h6-8H,3-5,9-12H2,1-2H3 |
| InChIKey | JAOTUGMPCUYTIG-UHFFFAOYSA-N |
| Molecular Weight | 337.372 g/mol |
| SMILES | C1=CC=C(C(=C1N(=O)=O)C)COC(=O)CCC(OCCCCC)=O |