| SpectraBase Compound ID | KV07tNbH3XN |
|---|---|
| InChI | InChI=1S/C15H15BrO3S/c1-20-14-9-8-13(19-14)3-2-10-18-15(17)11-4-6-12(16)7-5-11/h4-9H,2-3,10H2,1H3 |
| InChIKey | DWINXMIHZFIZHS-UHFFFAOYSA-N |
| Mol Weight | 355.25 g/mol |
| Molecular Formula | C15H15BrO3S |
| Exact Mass | 353.992529 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | KHVPvJGLv1r |
|---|---|
| Name | 3-(5-Methylthio-2-furyl)propyl 4-bromobenzoate |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 353.992528514 u |
| Formula | C15H15BrO3S |
| InChI | InChI=1S/C15H15BrO3S/c1-20-14-9-8-13(19-14)3-2-10-18-15(17)11-4-6-12(16)7-5-11/h4-9H,2-3,10H2,1H3 |
| InChIKey | DWINXMIHZFIZHS-UHFFFAOYSA-N |
| Molecular Weight | 355.246 g/mol |
| SMILES | C=1(OC(CCCOC(C2=CC=C(C=C2)Br)=O)=CC1)SC |