| SpectraBase Spectrum ID |
1xxis94Arjn |
| Name |
(1R,5R,6S)-3-keto-5-methyl-6-(phenylthio)-8-oxabicyclo[3.2.1]octane-2-carboxylic acid methyl ester |
| Comments |
Less than 3 mono-isotopic peaks |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C16H18O4S |
| InChI |
InChI=1S/C16H18O4S/c1-16-9-11(17)14(15(18)19-2)12(20-16)8-13(16)21-10-6-4-3-5-7-10/h3-7,12-14H,8-9H2,1-2H3/t12-,13+,14?,16-/m1/s1 |
| InChIKey |
OQUXBVXRXLYHCT-LBEMJPCMSA-N |
| Molecular Weight |
306.376 g/mol |
| SMILES |
[C@]12(O[C@]([H])(C[C@@]2(Sc2ccccc2)[H])C(C(C1)=O)C(=O)OC)C |
| SPLASH |
splash10-066r-0809000000-fce093dbdbc0141d1d7a |
| Source of Spectrum |
J-60-8388-3 |
| Synonyms |
(1R,5R,6S)-5-methyl-3-oxo-6-(phenylthio)-8-oxabicyclo[3.2.1]octane-2-carboxylic acid methyl ester
methyl (1R,5R,6S)-5-methyl-3-oxidanylidene-6-phenylsulfanyl-8-oxabicyclo[3.2.1]octane-2-carboxylate |
| Wiley ID |
1307918 |
![(1R,5R,6S)-3-keto-5-methyl-6-(phenylthio)-8-oxabicyclo[3.2.1]octane-2-carboxylic acid methyl ester](/api/spectrum/1xxis94Arjn/structure.png?h=300&w=458 "(1R,5R,6S)-3-keto-5-methyl-6-(phenylthio)-8-oxabicyclo[3.2.1]octane-2-carboxylic acid methyl ester")
