| SpectraBase Compound ID | 81rAL5z5vjn |
|---|---|
| InChI | InChI=1S/C19H26ClNO6/c20-14-5-3-1-2-4-6-15-26-18(22)8-7-9-19(23)27-17-12-10-16(11-13-17)21(24)25/h10-13H,1-9,14-15H2 |
| InChIKey | IOROWLHSVHIXDE-UHFFFAOYSA-N |
| Mol Weight | 399.87 g/mol |
| Molecular Formula | C19H26ClNO6 |
| Exact Mass | 399.144865 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | DK1sJXVZMLk |
|---|---|
| Name | Glutaric acid, 8-chlorooctyl 4-nitrophenyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 399.144865255 u |
| Formula | C19H26ClNO6 |
| InChI | InChI=1S/C19H26ClNO6/c20-14-5-3-1-2-4-6-15-26-18(22)8-7-9-19(23)27-17-12-10-16(11-13-17)21(24)25/h10-13H,1-9,14-15H2 |
| InChIKey | IOROWLHSVHIXDE-UHFFFAOYSA-N |
| Molecular Weight | 399.871 g/mol |
| SMILES | C(CCC(OCCCCCCCCCl)=O)C(OC1=CC=C(C=C1)N(=O)=O)=O |