| SpectraBase Compound ID | KSY5rJavguN |
|---|---|
| InChI | InChI=1S/C18H25NO6/c1-3-4-5-9-14(2)24-17(20)12-8-13-18(21)25-16-11-7-6-10-15(16)19(22)23/h6-7,10-11,14H,3-5,8-9,12-13H2,1-2H3 |
| InChIKey | QTESKBNYWMMNRZ-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 | 88Gt4YnIMnG |
|---|---|
| Name | Glutaric acid, hept-2-yl 2-nitrophenyl 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/c1-3-4-5-9-14(2)24-17(20)12-8-13-18(21)25-16-11-7-6-10-15(16)19(22)23/h6-7,10-11,14H,3-5,8-9,12-13H2,1-2H3 |
| InChIKey | QTESKBNYWMMNRZ-UHFFFAOYSA-N |
| Molecular Weight | 351.399 g/mol |
| SMILES | C(CCC(OC(C)CCCCC)=O)C(OC=1C=CC=CC1N(=O)=O)=O |