| SpectraBase Compound ID | GX5Ae23FJUA |
|---|---|
| InChI | InChI=1S/C12H22OS/c1-9(2)10-4-5-12(3)11(8-10)13-6-7-14-12/h9-11H,4-8H2,1-3H3/t10-,11-,12+/m1/s1 |
| InChIKey | JJBHPHIAMHDLQO-UTUOFQBUSA-N |
| Mol Weight | 214.37 g/mol |
| Molecular Formula | C12H22OS |
| Exact Mass | 214.139137 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | IscwFc3NHus |
|---|---|
| Name | (4aS,7R,8aR)-4a-Methyl-7-(1-methylethyl)perhydro-1,4-benzoxathiine |
| Comments | Less than 3 mono-isotopic peaks |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C12H22OS |
| InChI | InChI=1S/C12H22OS/c1-9(2)10-4-5-12(3)11(8-10)13-6-7-14-12/h9-11H,4-8H2,1-3H3/t10-,11-,12+/m1/s1 |
| InChIKey | JJBHPHIAMHDLQO-UTUOFQBUSA-N |
| Molecular Weight | 214.367 g/mol |
| SMILES | C1O[C@]2([C@@](SC1)(CC[C@](C2)(C(C)C)[H])C)[H] |
| SPLASH | splash10-0a4i-9040000000-deb5eedbcd136e70785f |
| Source of Spectrum | K-2001-2616-31 |
| Synonyms | (4aS,7R,8aR)-7-isopropyl-4a-methyloctahydro-1,4-benzoxathiin (4aS,7R,8aR)-4a-methyl-7-propan-2-yl-3,5,6,7,8,8a-hexahydro-2H-benzo[b][1,4]oxathiin (4aS,7R,8aR)-7-isopropyl-4a-methyl-3,5,6,7,8,8a-hexahydro-2H-benzo[b][1,4]oxathiine (4aS,7R,8aR)-4a-methyl-7-propan-2-yl-3,5,6,7,8,8a-hexahydro-2H-benzo[b][1,4]oxathiine |
| Wiley ID | 1579779 |