| SpectraBase Spectrum ID |
81pUGG0Su |
| Name |
Methyl {{[(1S,2R,5R)-6,6-Dimethyl-3-oxobycyclo[3.1.1]hept-2-yl]methyl}thio}acetate |
| Alternate Name(s) |
Methyl 2-((((1S,2R,5R)-6,6-dimethyl-3-oxobicyclo[3.1.1]heptan-2-yl)methyl)thio)acetate |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C13H20O3S |
| InChI |
InChI=1S/C13H20O3S/c1-13(2)8-4-10(13)9(11(14)5-8)6-17-7-12(15)16-3/h8-10H,4-7H2,1-3H3/t8-,9-,10+/m1/s1 |
| InChIKey |
JSXDNFMVZQGDTH-BBBLOLIVSA-N |
| Literature Reference DOI |
10.1002_(SICI)1522-2675(20000315)83_3_616 |
| Molecular Weight |
256.360 g/mol |
| SMILES |
C1(C)(C)[C@]2(C[C@@]1(CC([C@@]2(CSCC(OC)=O)[H])=O)[H])[H] |
| SPLASH |
splash10-00lr-9200000000-e247c370c6ac6662908f |
| Source of Spectrum |
H-83-627-3g |
| Wiley ID |
1787499 |
![Methyl {{[(1S,2R,5R)-6,6-Dimethyl-3-oxobycyclo[3.1.1]hept-2-yl]methyl}thio}acetate](/api/spectrum/81pUGG0Su/structure.png?h=300&w=458 "Methyl {{[(1S,2R,5R)-6,6-Dimethyl-3-oxobycyclo[3.1.1]hept-2-yl]methyl}thio}acetate")
