| SpectraBase Spectrum ID |
70Fl4DKR9wU |
| Name |
4,7-Methanoisobenzofuran-1(3H)-one, 7a-ethyl-3a,4,7,7a-tetrahydro-3-methyl-, [3R-(3.alpha.,3a.alpha.,4.alpha.,7.alpha.,7a.alpha.)]- |
| CAS Registry Number |
115183-48-7 |
| Comments |
Removed - expert review: contamination (CHCl3); A corrected record has been addded having SpectrumID: 1821431 |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C12H16O2 |
| InChI |
InChI=1S/C12H16O2/c1-3-12-9-5-4-8(6-9)10(12)7(2)14-11(12)13/h4-5,7-10H,3,6H2,1-2H3/t7-,8+,9-,10+,12-/m1/s1 |
| InChIKey |
SYXUNGJAAAJAKA-RACFRTOFSA-N |
| Molecular Weight |
192.258 g/mol |
| SMILES |
C1([C@@]2([C@@]3(C=C[C@@]([C@]2([H])[C@](O1)(C)[H])([H])C3)[H])CC)=O |
| SPLASH |
splash10-016r-9300000000-2e687b4cf31fbf7d1ab9 |
| Source of Spectrum |
J-53-4394-6 |
| Synonyms |
(1S,2R,5R,6S,7R)-2-ethyl-5-methyl-4-oxatricyclo[5.2.1.0(2,6)]dec-8-en-3-one |
| Wiley ID |
1188736 |
![4,7-Methanoisobenzofuran-1(3H)-one, 7a-ethyl-3a,4,7,7a-tetrahydro-3-methyl-, [3R-(3.alpha.,3a.alpha.,4.alpha.,7.alpha.,7a.alpha.)]-](/api/spectrum/70Fl4DKR9wU/structure.png?h=300&w=458 "4,7-Methanoisobenzofuran-1(3H)-one, 7a-ethyl-3a,4,7,7a-tetrahydro-3-methyl-, [3R-(3.alpha.,3a.alpha.,4.alpha.,7.alpha.,7a.alpha.)]-")
