| SpectraBase Compound ID | DHCrTxr41uF |
|---|---|
| InChI | InChI=1S/C15H19BrO5/c1-2-3-4-9-20-14(17)10-19-11-15(18)21-13-7-5-12(16)6-8-13/h5-8H,2-4,9-11H2,1H3 |
| InChIKey | BNEDGBJLGWUIJX-UHFFFAOYSA-N |
| Mol Weight | 359.22 g/mol |
| Molecular Formula | C15H19BrO5 |
| Exact Mass | 358.041587 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 9utgradni9z |
|---|---|
| Name | Diglycolic acid, 4-bromophenyl pentyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 358.041586707 u |
| Formula | C15H19BrO5 |
| InChI | InChI=1S/C15H19BrO5/c1-2-3-4-9-20-14(17)10-19-11-15(18)21-13-7-5-12(16)6-8-13/h5-8H,2-4,9-11H2,1H3 |
| InChIKey | BNEDGBJLGWUIJX-UHFFFAOYSA-N |
| Molecular Weight | 359.216 g/mol |
| SMILES | C(COCC(=O)OCCCCC)(=O)OC1=CC=C(C=C1)Br |