| SpectraBase Spectrum ID |
B8Ru6utAhju |
| Name |
4-Methyl-2.beta.-hydroperoxy-6.beta.-methoxy-8.alpha.-methylthiocarboxyl-3,5-dioxatricyclo[5.2.1.0.(4,9)]-decane |
| Comments |
Less than 3 mono-isotopic peaks |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C12H18O6S |
| InChI |
InChI=1S/C12H18O6S/c1-12-8-6(11(17-12)18-14)4-5(10(15-2)16-12)7(8)9(13)19-3/h5-8,10-11,14H,4H2,1-3H3/t5?,6?,7-,8?,10+,11-,12?/m0/s1 |
| InChIKey |
VHINVZHVPDNOIW-VQQAOKAFSA-N |
| Molecular Weight |
290.330 g/mol |
| SMILES |
OO[C@@]1(OC2(C3[C@](C([C@@](O2)(OC)[H])CC13)(C(=O)SC)[H])C)[H] |
| SPLASH |
splash10-03di-0090000000-4d20792f534e0be713cc |
| Source of Spectrum |
F-67-7242-26 |
| Wiley ID |
1687666 |
![4-Methyl-2.beta.-hydroperoxy-6.beta.-methoxy-8.alpha.-methylthiocarboxyl-3,5-dioxatricyclo[5.2.1.0.(4,9)]-decane](/api/spectrum/B8Ru6utAhju/structure.png?h=300&w=458 "4-Methyl-2.beta.-hydroperoxy-6.beta.-methoxy-8.alpha.-methylthiocarboxyl-3,5-dioxatricyclo[5.2.1.0.(4,9)]-decane")
