| SpectraBase Compound ID | 2z1rKXw7bm7 |
|---|---|
| InChI | InChI=1S/C14H22O3S/c1-10(2)8-18-9-12-13(16-4)6-11(15-3)7-14(12)17-5/h6-7,10H,8-9H2,1-5H3 |
| InChIKey | IIIVBNQYUYIQTF-UHFFFAOYSA-N |
| Mol Weight | 270.39 g/mol |
| Molecular Formula | C14H22O3S |
| Exact Mass | 270.128966 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | Jini9DiaNEf |
|---|---|
| Name | Isobutyl 2,4,6-trimethoxybenzyl sulfide |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 270.128965739 u |
| Formula | C14H22O3S |
| InChI | InChI=1S/C14H22O3S/c1-10(2)8-18-9-12-13(16-4)6-11(15-3)7-14(12)17-5/h6-7,10H,8-9H2,1-5H3 |
| InChIKey | IIIVBNQYUYIQTF-UHFFFAOYSA-N |
| Molecular Weight | 270.387 g/mol |
| SMILES | C=1(C(=CC(=CC1OC)OC)OC)CSCC(C)C |