| SpectraBase Compound ID | IUcBxIX6y6S |
|---|---|
| InChI | InChI=1S/C18H25BrO5/c1-3-4-5-6-11-23-17(20)9-10-18(21)24-13-14-12-15(19)7-8-16(14)22-2/h7-8,12H,3-6,9-11,13H2,1-2H3 |
| InChIKey | TZKDLLLHWKWELM-UHFFFAOYSA-N |
| Mol Weight | 401.3 g/mol |
| Molecular Formula | C18H25BrO5 |
| Exact Mass | 400.088537 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | IC0CXpGRNYy |
|---|---|
| Name | Succinic acid, 5-bromo-2-methoxybenzyl hexyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 400.088536900 u |
| Formula | C18H25BrO5 |
| InChI | InChI=1S/C18H25BrO5/c1-3-4-5-6-11-23-17(20)9-10-18(21)24-13-14-12-15(19)7-8-16(14)22-2/h7-8,12H,3-6,9-11,13H2,1-2H3 |
| InChIKey | TZKDLLLHWKWELM-UHFFFAOYSA-N |
| Molecular Weight | 401.297 g/mol |
| SMILES | C(CCC(OCC=1C(OC)=CC=C(Br)C1)=O)(OCCCCCC)=O |