| SpectraBase Compound ID | GIfqQhrNkRF |
|---|---|
| InChI | InChI=1S/C13H16O4/c1-16-12(14)8-5-9-13(15)17-10-11-6-3-2-4-7-11/h2-4,6-7H,5,8-10H2,1H3 |
| InChIKey | SGDHACKTDDDMDB-UHFFFAOYSA-N |
| Mol Weight | 236.27 g/mol |
| Molecular Formula | C13H16O4 |
| Exact Mass | 236.104859 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | CrC7TTqg1J0 |
|---|---|
| Name | Glutaricacid-methylester-benzylester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 236.104858991 u |
| Formula | C13H16O4 |
| InChI | InChI=1S/C13H16O4/c1-16-12(14)8-5-9-13(15)17-10-11-6-3-2-4-7-11/h2-4,6-7H,5,8-10H2,1H3 |
| InChIKey | SGDHACKTDDDMDB-UHFFFAOYSA-N |
| Molecular Weight | 236.267 g/mol |
| SMILES | C(=O)(OCC1=CC=CC=C1)CCCC(=O)OC |