| SpectraBase Compound ID | FABAePhRw3Z |
|---|---|
| InChI | InChI=1S/C13H18OS2/c1-3-12(14-13(15)16-2)10-9-11-7-5-4-6-8-11/h4-8,12H,3,9-10H2,1-2H3 |
| InChIKey | YADNVVSSHJBBOE-UHFFFAOYSA-N |
| Mol Weight | 254.41 g/mol |
| Molecular Formula | C13H18OS2 |
| Exact Mass | 254.079908 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | G7fbLjYTbMa |
|---|---|
| Name | (Methylthio)methanethioic acid o-(1-ethyl-3-phenyl-propyl) ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 254.079907547 u |
| Formula | C13H18OS2 |
| InChI | InChI=1S/C13H18OS2/c1-3-12(14-13(15)16-2)10-9-11-7-5-4-6-8-11/h4-8,12H,3,9-10H2,1-2H3 |
| InChIKey | YADNVVSSHJBBOE-UHFFFAOYSA-N |
| Molecular Weight | 254.406 g/mol |
| SMILES | C(=S)(OC(CCC1=CC=CC=C1)CC)SC |