| SpectraBase Compound ID | 2Jvcgz7eIVg |
|---|---|
| InChI | InChI=1S/C18H25BrO4/c1-4-7-16(13(2)3)23-18(21)11-10-17(20)22-12-14-8-5-6-9-15(14)19/h5-6,8-9,13,16H,4,7,10-12H2,1-3H3 |
| InChIKey | KBZMSANTBRQQLK-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 | GM4DYm6SZtW |
|---|---|
| Name | Succinic acid, 2-bromobenzyl 2-methylhex-3-yl 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/c1-4-7-16(13(2)3)23-18(21)11-10-17(20)22-12-14-8-5-6-9-15(14)19/h5-6,8-9,13,16H,4,7,10-12H2,1-3H3 |
| InChIKey | KBZMSANTBRQQLK-UHFFFAOYSA-N |
| Molecular Weight | 385.298 g/mol |
| SMILES | C(CCC(OCC=1C(Br)=CC=CC1)=O)(OC(CCC)C(C)C)=O |