| SpectraBase Compound ID | CFHkjDfGvPR |
|---|---|
| InChI | InChI=1S/C16H21BrO5/c1-3-9-21-15(18)5-4-6-16(19)22-11-12-10-13(17)7-8-14(12)20-2/h7-8,10H,3-6,9,11H2,1-2H3 |
| InChIKey | FQBYDJQUWGQUEG-UHFFFAOYSA-N |
| Mol Weight | 373.24 g/mol |
| Molecular Formula | C16H21BrO5 |
| Exact Mass | 372.057237 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 | DYQSeNMbxKs |
|---|---|
| Name | Glutaric acid, 5-bromo-2-methoxybenzyl propyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 372.057236771 u |
| Formula | C16H21BrO5 |
| InChI | InChI=1S/C16H21BrO5/c1-3-9-21-15(18)5-4-6-16(19)22-11-12-10-13(17)7-8-14(12)20-2/h7-8,10H,3-6,9,11H2,1-2H3 |
| InChIKey | FQBYDJQUWGQUEG-UHFFFAOYSA-N |
| Molecular Weight | 373.243 g/mol |
| SMILES | C(OCC=1C=C(C=CC1OC)Br)(=O)CCCC(OCCC)=O |