| SpectraBase Compound ID | CrI5uTAo58z |
|---|---|
| InChI | InChI=1S/C18H25NO6/c1-2-3-4-5-12-24-17(20)10-7-11-18(21)25-14-15-8-6-9-16(13-15)19(22)23/h6,8-9,13H,2-5,7,10-12,14H2,1H3 |
| InChIKey | FROPKMSGTUNLLN-UHFFFAOYSA-N |
| Mol Weight | 351.4 g/mol |
| Molecular Formula | C18H25NO6 |
| Exact Mass | 351.168188 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 | EK21tIAWqck |
|---|---|
| Name | Glutaric acid, hexyl 3-nitrobenzyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 351.168187523 u |
| Formula | C18H25NO6 |
| InChI | InChI=1S/C18H25NO6/c1-2-3-4-5-12-24-17(20)10-7-11-18(21)25-14-15-8-6-9-16(13-15)19(22)23/h6,8-9,13H,2-5,7,10-12,14H2,1H3 |
| InChIKey | FROPKMSGTUNLLN-UHFFFAOYSA-N |
| Molecular Weight | 351.399 g/mol |
| SMILES | C(OCC1=CC=CC(=C1)N(=O)=O)(=O)CCCC(OCCCCCC)=O |