| SpectraBase Spectrum ID |
2F4u1OI4qFi |
| Name |
Bicyclo[3.1.1]heptane-3-acetic acid, 2-(hydroxymethyl)-6,6-dimethyl-, [1S-(1.alpha.,2.beta.,3.alpha.,5.alpha.)]- |
| Alternate Name(s) |
(+)-(1S,2R,3R,5S)-10-Hydroxy-3-pinanacetic acid
[(1S,2R,3R,5S)-2-(hydroxymethyl)-6,6-dimethylbicyclo[3.1.1]hept-3-yl]acetic acid |
| CAS Registry Number |
86777-97-1 |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C12H20O3 |
| InChI |
InChI=1S/C12H20O3/c1-12(2)8-3-7(4-11(14)15)9(6-13)10(12)5-8/h7-10,13H,3-6H2,1-2H3,(H,14,15)/t7-,8+,9-,10+/m1/s1 |
| InChIKey |
AYCSJHLHCWGXBM-RGOKHQFPSA-N |
| Molecular Weight |
212.289 g/mol |
| SMILES |
OC[C@@]1([C@@](CC(=O)O)(C[C@@]2(C([C@]1(C2)[H])(C)C)[H])[H])[H] |
| SPLASH |
splash10-002f-9600000000-0d9dba4c04940e3bedf3 |
| Source of Spectrum |
H-66-1001-0 |
| Wiley ID |
1211478 |
![Bicyclo[3.1.1]heptane-3-acetic acid, 2-(hydroxymethyl)-6,6-dimethyl-, [1S-(1.alpha.,2.beta.,3.alpha.,5.alpha.)]-](/api/spectrum/2F4u1OI4qFi/structure.png?h=300&w=458 "Bicyclo[3.1.1]heptane-3-acetic acid, 2-(hydroxymethyl)-6,6-dimethyl-, [1S-(1.alpha.,2.beta.,3.alpha.,5.alpha.)]-")
