| SpectraBase Compound ID | JSz1mmIZqiz |
|---|---|
| InChI | InChI=1S/C17H23NO6/c1-13(2)6-5-11-23-16(19)9-4-10-17(20)24-15-8-3-7-14(12-15)18(21)22/h3,7-8,12-13H,4-6,9-11H2,1-2H3 |
| InChIKey | SQLORUKSDXNCEX-UHFFFAOYSA-N |
| Mol Weight | 337.37 g/mol |
| Molecular Formula | C17H23NO6 |
| Exact Mass | 337.152537 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 6eBBVj5mK2f |
|---|---|
| Name | Glutaric acid, isohexyl 3-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)6-5-11-23-16(19)9-4-10-17(20)24-15-8-3-7-14(12-15)18(21)22/h3,7-8,12-13H,4-6,9-11H2,1-2H3 |
| InChIKey | SQLORUKSDXNCEX-UHFFFAOYSA-N |
| Molecular Weight | 337.372 g/mol |
| SMILES | CC(C)CCCOC(CCCC(OC1=CC=CC(=C1)N(=O)=O)=O)=O |