SpectraBase Spectrum ID |
3WLL3z0Cry5 |
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 |
Edited after expert review for CHCl3 contamination - Original record with SpectrumID 1188736 moved to the Legacy library |
Copyright |
Copyright © 2020-2025 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-9600000000-b0b521647c48dcb15185 |
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 |
1821431 |