| SpectraBase Spectrum ID |
LCHKxL3RNx2 |
| Name |
9a-Bromo-9-hydroxy-2,3,4,4a,9,9a-hexahydroxanthen-1-one |
| Alternate Name(s) |
9a-bromo-9-hydroxy-2,3,4,4a,9,9a-hexahydro-1H-xanthen-1-one |
| Comments |
Less than 3 mono-isotopic peaks |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C13H13BrO3 |
| InChI |
InChI=1S/C13H13BrO3/c14-13-10(15)6-3-7-11(13)17-9-5-2-1-4-8(9)12(13)16/h1-2,4-5,11-12,16H,3,6-7H2 |
| InChIKey |
QCKFWAOSWMNPKJ-UHFFFAOYSA-N |
| Molecular Weight |
297.148 g/mol |
| SMILES |
OC1C2(C(CCCC2Oc2ccccc12)=O)Br |
| SPLASH |
splash10-0002-0890000000-0650f1d785891d61f4cc |
| Source of Spectrum |
QE-12-3652-12 |
| Wiley ID |
1586935 |
