| SpectraBase Compound ID | K8Q3wOsAxkE |
|---|---|
| InChI | InChI=1S/C19H27BrO4/c1-4-5-17(14(2)3)24-19(22)11-10-18(21)23-13-12-15-6-8-16(20)9-7-15/h6-9,14,17H,4-5,10-13H2,1-3H3 |
| InChIKey | NOFYOXKQDQWCMR-UHFFFAOYSA-N |
| Mol Weight | 399.33 g/mol |
| Molecular Formula | C19H27BrO4 |
| Exact Mass | 398.109272 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 1OC4Vv5418I |
|---|---|
| Name | Succinic acid, 4-bromophenethyl 2-methylhex-3-yl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 398.109272345 u |
| Formula | C19H27BrO4 |
| InChI | InChI=1S/C19H27BrO4/c1-4-5-17(14(2)3)24-19(22)11-10-18(21)23-13-12-15-6-8-16(20)9-7-15/h6-9,14,17H,4-5,10-13H2,1-3H3 |
| InChIKey | NOFYOXKQDQWCMR-UHFFFAOYSA-N |
| Molecular Weight | 399.325 g/mol |
| SMILES | C(CCC(OCCC1=CC=C(C=C1)Br)=O)(OC(CCC)C(C)C)=O |