| SpectraBase Compound ID | LlQ9kWTM7AM |
|---|---|
| InChI | InChI=1S/C18H23BrO4/c1-2-3-12-22-17(20)15-6-4-5-7-16(15)18(21)23-14-10-8-13(19)9-11-14/h8-11,15-16H,2-7,12H2,1H3 |
| InChIKey | JIHVSMPVLFOEED-UHFFFAOYSA-N |
| Mol Weight | 383.28 g/mol |
| Molecular Formula | C18H23BrO4 |
| Exact Mass | 382.077972 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | J5mmOLMwt0U |
|---|---|
| Name | 1,2-Cyclohexanedicarboxylic acid, 4-bromophenyl butyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 382.077972217 u |
| Formula | C18H23BrO4 |
| InChI | InChI=1S/C18H23BrO4/c1-2-3-12-22-17(20)15-6-4-5-7-16(15)18(21)23-14-10-8-13(19)9-11-14/h8-11,15-16H,2-7,12H2,1H3 |
| InChIKey | JIHVSMPVLFOEED-UHFFFAOYSA-N |
| Molecular Weight | 383.282 g/mol |
| SMILES | C1(=CC=C(C=C1)Br)OC(C1CCCCC1C(=O)OCCCC)=O |