| SpectraBase Compound ID | BnCkaAPJ2WW |
|---|---|
| InChI | InChI=1S/C12H14O2S/c1-3-11(13)12(2)14-8-9-6-4-5-7-10(9)15-12/h4-7H,3,8H2,1-2H3 |
| InChIKey | FSISEYFWCOTHRP-UHFFFAOYSA-N |
| Mol Weight | 222.3 g/mol |
| Molecular Formula | C12H14O2S |
| Exact Mass | 222.071451 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | CJ3L64nkeSr |
|---|---|
| Name | 2-Methyl-2-propionyl-4H-3,1-benzoxathiine |
| CAS Registry Number | 124921-63-7 |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C12H14O2S |
| InChI | InChI=1S/C12H14O2S/c1-3-11(13)12(2)14-8-9-6-4-5-7-10(9)15-12/h4-7H,3,8H2,1-2H3 |
| InChIKey | FSISEYFWCOTHRP-UHFFFAOYSA-N |
| Molecular Weight | 222.302 g/mol |
| SMILES | C1(Sc2ccccc2CO1)(C(=O)CC)C |
| SPLASH | splash10-0adi-6900000000-6ca64300e838cb3f97ea |
| Source of Spectrum | K-123-1147-4 |
| Wiley ID | 1222137 |