| SpectraBase Compound ID | 6gO9l50iSMn |
|---|---|
| InChI | InChI=1S/C17H23NO6/c1-13(2)7-6-12-23-16(19)10-5-11-17(20)24-15-9-4-3-8-14(15)18(21)22/h3-4,8-9,13H,5-7,10-12H2,1-2H3 |
| InChIKey | KNNDOTMXEUNUDK-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 | 6aNGPNHw3Ke |
|---|---|
| Name | Glutaric acid, isohexyl 2-nitrophenyl 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/c1-13(2)7-6-12-23-16(19)10-5-11-17(20)24-15-9-4-3-8-14(15)18(21)22/h3-4,8-9,13H,5-7,10-12H2,1-2H3 |
| InChIKey | KNNDOTMXEUNUDK-UHFFFAOYSA-N |
| Molecular Weight | 337.372 g/mol |
| SMILES | CC(C)CCCOC(CCCC(OC1=CC=CC=C1N(=O)=O)=O)=O |