| SpectraBase Spectrum ID |
1Ie1x9B6Nas |
| Name |
4,7-Epoxy-1,3-benzodioxol-5(4H)-one, tetrahydro-2,2-dimethyl-, [3R-(3a.alpha.,4.beta.,7.beta.,7a.alpha.)]- |
| Alternate Name(s) |
(+)-(1R,4R,5R,6R)-5-exo,6-exo-(isopropylidenedioxy)-7-oxabicyclo[2.2.1]heptan-2-one
(1R,2R,6R,7R)-4,4-dimethyl-3,5,10-trioxatricyclo[5.2.1.0(2,6)]decan-8-one |
| CAS Registry Number |
118244-86-3 |
| Comments |
Less than 3 mono-isotopic peaks |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C9H12O4 |
| InChI |
InChI=1S/C9H12O4/c1-9(2)12-7-5-3-4(10)6(11-5)8(7)13-9/h5-8H,3H2,1-2H3/t5-,6+,7-,8+/m1/s1 |
| InChIKey |
VLGKFQNFQGLVGQ-CWKFCGSDSA-N |
| Molecular Weight |
184.191 g/mol |
| SMILES |
[C@]12([C@]3(O[C@@]([C@]2(OC(O1)(C)C)[H])(CC3=O)[H])[H])[H] |
| SPLASH |
splash10-014i-0900000000-413fcfa477586ecefcdc |
| Source of Spectrum |
H-71-627-0 |
| Wiley ID |
1180338 |
![4,7-Epoxy-1,3-benzodioxol-5(4H)-one, tetrahydro-2,2-dimethyl-, [3R-(3a.alpha.,4.beta.,7.beta.,7a.alpha.)]-](/api/spectrum/1Ie1x9B6Nas/structure.png?h=300&w=458 "4,7-Epoxy-1,3-benzodioxol-5(4H)-one, tetrahydro-2,2-dimethyl-, [3R-(3a.alpha.,4.beta.,7.beta.,7a.alpha.)]-")
