| SpectraBase Spectrum ID |
FMWGM26iPiI |
| Name |
(4aS,7R,8S,8aS)-7-(Hydroxymethyl)-8-(4-bromophenyl)octahydro-3H-2-benzopyran-3-one |
| Alternate Name(s) |
(4aS,7R,8S,8aS)-8-(4-Bromo-phenyl)-7-hydroxymethyl-octahydro-isochromen-3-one |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C16H19BrO3 |
| InChI |
InChI=1S/C16H19BrO3/c17-13-5-3-10(4-6-13)16-12(8-18)2-1-11-7-15(19)20-9-14(11)16/h3-6,11-12,14,16,18H,1-2,7-9H2/t11-,12-,14-,16-/m0/s1 |
| InChIKey |
GTPYOLGSROWKJB-DUPGQFARSA-N |
| Molecular Weight |
339.229 g/mol |
| SMILES |
OC[C@]1([C@@]([C@@]2([C@](CC(OC2)=O)(CC1)[H])[H])(c1ccc(cc1)Br)[H])[H] |
| SPLASH |
splash10-069c-6918000000-fbd48b8cc3b0f199bbda |
| Source of Spectrum |
F4-43-1893-6 |
| Wiley ID |
1675680 |
