| SpectraBase Compound ID | 1alzOiaqEPi |
|---|---|
| InChI | InChI=1S/C18H25BrO4/c1-2-3-4-12-22-17(20)9-6-10-18(21)23-13-11-15-7-5-8-16(19)14-15/h5,7-8,14H,2-4,6,9-13H2,1H3 |
| InChIKey | UERLIKDUGHWQNL-UHFFFAOYSA-N |
| Mol Weight | 385.3 g/mol |
| Molecular Formula | C18H25BrO4 |
| Exact Mass | 384.093622 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | F1frNwUA2Uz |
|---|---|
| Name | Glutaric acid, 2-(3-bromophenyl)ethyl pentyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 384.093622281 u |
| Formula | C18H25BrO4 |
| InChI | InChI=1S/C18H25BrO4/c1-2-3-4-12-22-17(20)9-6-10-18(21)23-13-11-15-7-5-8-16(19)14-15/h5,7-8,14H,2-4,6,9-13H2,1H3 |
| InChIKey | UERLIKDUGHWQNL-UHFFFAOYSA-N |
| Molecular Weight | 385.298 g/mol |
| SMILES | C(OCCC1=CC=CC(=C1)Br)(=O)CCCC(OCCCCC)=O |