| SpectraBase Compound ID | 9iFBNc0YT0z |
|---|---|
| InChI | InChI=1S/C23H35BrO4/c1-2-3-4-5-6-7-8-9-10-11-19-27-22(25)13-12-14-23(26)28-21-17-15-20(24)16-18-21/h15-18H,2-14,19H2,1H3 |
| InChIKey | WEUNAFMQYNAKSM-UHFFFAOYSA-N |
| Mol Weight | 455.4 g/mol |
| Molecular Formula | C23H35BrO4 |
| Exact Mass | 454.171873 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 | H8VKqSCkbju |
|---|---|
| Name | Glutaric acid, 4-bromophenyl dodecyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 454.171872603 u |
| Formula | C23H35BrO4 |
| InChI | InChI=1S/C23H35BrO4/c1-2-3-4-5-6-7-8-9-10-11-19-27-22(25)13-12-14-23(26)28-21-17-15-20(24)16-18-21/h15-18H,2-14,19H2,1H3 |
| InChIKey | WEUNAFMQYNAKSM-UHFFFAOYSA-N |
| Molecular Weight | 455.433 g/mol |
| SMILES | CCCCCCCCCCCCOC(CCCC(OC1=CC=C(C=C1)Br)=O)=O |