| SpectraBase Compound ID | 3C2svSbHRCY |
|---|---|
| InChI | InChI=1S/C16H21NO7/c1-2-10-23-15(18)4-3-5-16(19)24-12-11-22-14-8-6-13(7-9-14)17(20)21/h6-9H,2-5,10-12H2,1H3 |
| InChIKey | OLCCNUZEXAOKGU-UHFFFAOYSA-N |
| Mol Weight | 339.34 g/mol |
| Molecular Formula | C16H21NO7 |
| Exact Mass | 339.131802 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 6DtMaE7mZOh |
|---|---|
| Name | Glutaric acid, 2-(4-nitrophenoxy)ethyl propyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 339.131802013 u |
| Formula | C16H21NO7 |
| InChI | InChI=1S/C16H21NO7/c1-2-10-23-15(18)4-3-5-16(19)24-12-11-22-14-8-6-13(7-9-14)17(20)21/h6-9H,2-5,10-12H2,1H3 |
| InChIKey | OLCCNUZEXAOKGU-UHFFFAOYSA-N |
| Molecular Weight | 339.344 g/mol |
| SMILES | C(OCCOC1=CC=C(C=C1)N(=O)=O)(=O)CCCC(OCCC)=O |