| SpectraBase Spectrum ID |
6hQtPKWY2NQ |
| Name |
(4a,1-trans)-2,3,4,4a,9,9a-Hexahydro-1H-xanthene-1,7-diol |
| Comments |
Less than 3 mono-isotopic peaks |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C13H16O3 |
| InChI |
InChI=1S/C13H16O3/c14-9-4-5-12-8(6-9)7-10-11(15)2-1-3-13(10)16-12/h4-6,10-11,13-15H,1-3,7H2/t10?,11-,13+/m0/s1 |
| InChIKey |
NWZQKDBHEYANMX-QMDRTORHSA-N |
| Molecular Weight |
220.268 g/mol |
| SMILES |
Oc1cc2CC3[C@](CCC[C@]3(Oc2cc1)[H])(O)[H] |
| SPLASH |
splash10-00di-0390000000-0f55840f24f479310bc4 |
| Source of Spectrum |
U1-2009-5582-4c |
| Wiley ID |
1697312 |
