| SpectraBase Compound ID | C6dmcZ4OBlG |
|---|---|
| InChI | InChI=1S/C18H25BrO4/c1-2-3-4-5-12-22-17(20)9-10-18(21)23-13-11-15-7-6-8-16(19)14-15/h6-8,14H,2-5,9-13H2,1H3 |
| InChIKey | YIAPWNOMRYBGKM-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 | 4pEQA3DBDQZ |
|---|---|
| Name | Succinic acid, 3-bromophenethyl hexyl 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/c1-2-3-4-5-12-22-17(20)9-10-18(21)23-13-11-15-7-6-8-16(19)14-15/h6-8,14H,2-5,9-13H2,1H3 |
| InChIKey | YIAPWNOMRYBGKM-UHFFFAOYSA-N |
| Molecular Weight | 385.298 g/mol |
| SMILES | C(CCC(OCCC1=CC=CC(=C1)Br)=O)(OCCCCCC)=O |