| SpectraBase Compound ID | Aolo34ZJTO8 |
|---|---|
| InChI | InChI=1S/C12H17BrO2S/c1-3-14-12(15-4-2)9-16-11-8-6-5-7-10(11)13/h5-8,12H,3-4,9H2,1-2H3 |
| InChIKey | SDZIZUSDBKSUJL-UHFFFAOYSA-N |
| Mol Weight | 305.23 g/mol |
| Molecular Formula | C12H17BrO2S |
| Exact Mass | 304.013264 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 4ERdk8jNS5f |
|---|---|
| Name | 1-Bromanyl-2-(2,2-diethoxyethylsulfanyl)benzene |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 304.013263959 u |
| Formula | C12H17BrO2S |
| InChI | InChI=1S/C12H17BrO2S/c1-3-14-12(15-4-2)9-16-11-8-6-5-7-10(11)13/h5-8,12H,3-4,9H2,1-2H3 |
| InChIKey | SDZIZUSDBKSUJL-UHFFFAOYSA-N |
| Molecular Weight | 305.230 g/mol |
| SMILES | C=1(SCC(OCC)OCC)C(Br)=CC=CC1 |