| SpectraBase Compound ID | 4S9JthADpDw |
|---|---|
| InChI | InChI=1S/C17H23NO6/c1-12(2)10-23-16(19)5-4-6-17(20)24-11-14-7-8-15(18(21)22)13(3)9-14/h7-9,12H,4-6,10-11H2,1-3H3 |
| InChIKey | XOJFBSCEXJJYOK-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 | 23t1mqf6O4H |
|---|---|
| Name | Glutaric acid, isobutyl 3-methyl-4-nitrobenzyl 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/c1-12(2)10-23-16(19)5-4-6-17(20)24-11-14-7-8-15(18(21)22)13(3)9-14/h7-9,12H,4-6,10-11H2,1-3H3 |
| InChIKey | XOJFBSCEXJJYOK-UHFFFAOYSA-N |
| Molecular Weight | 337.372 g/mol |
| SMILES | C(OCC1=CC=C(C(=C1)C)N(=O)=O)(=O)CCCC(OCC(C)C)=O |