| SpectraBase Compound ID | 4ktPcF4qZT2 |
|---|---|
| InChI | InChI=1S/C17H23BrO5/c1-3-4-10-22-16(19)6-5-7-17(20)23-12-13-11-14(18)8-9-15(13)21-2/h8-9,11H,3-7,10,12H2,1-2H3 |
| InChIKey | AVPYEXSURQEIKY-UHFFFAOYSA-N |
| Mol Weight | 387.27 g/mol |
| Molecular Formula | C17H23BrO5 |
| Exact Mass | 386.072887 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
View the Full Spectrum for FREE!
The full spectrum can only be viewed using a FREE account.
| SpectraBase Spectrum ID | KHcODMk77SV |
|---|---|
| Name | Glutaric acid, 5-bromo-2-methoxybenzyl butyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 386.072886836 u |
| Formula | C17H23BrO5 |
| InChI | InChI=1S/C17H23BrO5/c1-3-4-10-22-16(19)6-5-7-17(20)23-12-13-11-14(18)8-9-15(13)21-2/h8-9,11H,3-7,10,12H2,1-2H3 |
| InChIKey | AVPYEXSURQEIKY-UHFFFAOYSA-N |
| Molecular Weight | 387.270 g/mol |
| SMILES | C(OCC=1C=C(C=CC1OC)Br)(=O)CCCC(OCCCC)=O |