| SpectraBase Compound ID | LYBqtw9btUW |
|---|---|
| InChI | InChI=1S/C18H25BrO4/c1-3-4-5-6-12-22-17(20)10-11-18(21)23-14(2)15-8-7-9-16(19)13-15/h7-9,13-14H,3-6,10-12H2,1-2H3 |
| InChIKey | FWYGWVQJCZZGHF-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 | Cw4FUPtxqX2 |
|---|---|
| Name | Succinic acid, 1-(3-bromophenyl)ethyl 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/c1-3-4-5-6-12-22-17(20)10-11-18(21)23-14(2)15-8-7-9-16(19)13-15/h7-9,13-14H,3-6,10-12H2,1-2H3 |
| InChIKey | FWYGWVQJCZZGHF-UHFFFAOYSA-N |
| Molecular Weight | 385.298 g/mol |
| SMILES | C(CCC(OC(C=1C=C(C=CC1)Br)C)=O)(OCCCCCC)=O |