| SpectraBase Compound ID | 3eBlDTzTEkU |
|---|---|
| InChI | InChI=1S/C14H14O3S/c1-17-14(15)11-7-9-13(10-8-11)18(16)12-5-3-2-4-6-12/h2-7,10H,8-9H2,1H3 |
| InChIKey | LOPLAEDHIMPFFX-UHFFFAOYSA-N |
| Mol Weight | 262.32 g/mol |
| Molecular Formula | C14H14O3S |
| Exact Mass | 262.066365 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | Dr2tfIZbO0P |
|---|---|
| Name | Methyl 4-(Phenylsulfinyl)-1,4-cyclohexadiene-1-carboxylate |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C14H14O3S |
| InChI | InChI=1S/C14H14O3S/c1-17-14(15)11-7-9-13(10-8-11)18(16)12-5-3-2-4-6-12/h2-7,10H,8-9H2,1H3 |
| InChIKey | LOPLAEDHIMPFFX-UHFFFAOYSA-N |
| Molecular Weight | 262.323 g/mol |
| SMILES | C1(S(=O)c2ccccc2)=CCC(=CC1)C(=O)OC |
| SPLASH | splash10-03di-0090000000-c94035baaebd23b60d80 |
| Source of Spectrum | QA-47-88-8 |
| Wiley ID | 863318 |