| SpectraBase Spectrum ID |
1JzmIn6xiIO |
| Name |
rel-(3R,3aS,7aR)-3-methylhexahydrophthalide |
| Alternate Name(s) |
(3R,3aS,7aR)-3-methylhexahydro-2-benzofuran-1(3H)-one |
| CAS Registry Number |
42412-68-0 |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C9H14O2 |
| InChI |
InChI=1S/C9H14O2/c1-6-7-4-2-3-5-8(7)9(10)11-6/h6-8H,2-5H2,1H3/t6-,7-,8-/m1/s1 |
| InChIKey |
LRCFBLCWYSNMBD-BWZBUEFSSA-N |
| Molecular Weight |
154.209 g/mol |
| SMILES |
C1(O[C@](C)([C@@]2([C@]1(CCCC2)[H])[H])[H])=O |
| SPLASH |
splash10-00lr-9000000000-ded6b4d3cd6c22575aaf |
| Source of Spectrum |
F-46-7383-4 |
| Wiley ID |
1151316 |
