| SpectraBase Spectrum ID |
4NThh90a7VB |
| Name |
(3aR,4S,9aR)-4-(3,4-dimethoxyphenyl)-4-hydroxy-1,3a,9,9a-tetrahydrobenzo[f]isobenzofuran-3-one |
| Alternate Name(s) |
(3aR,4S,9aR)-4-(3,4-dimethoxyphenyl)-4-hydroxy-1,3a,9,9a-tetrahydrobenzo[f][2]benzofuran-3-one
(3aR,4S,9aR)-4-(3,4-dimethoxyphenyl)-4-hydroxy-1,3a,9,9a-tetrahydrobenz[f]isobenzofuran-3-one
(3aR,4S,9aR)-4-(3,4-dimethoxyphenyl)-4-oxidanyl-1,3a,9,9a-tetrahydrobenzo[f][2]benzofuran-3-one |
| Comments |
Less than 3 mono-isotopic peaks |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C20H20O5 |
| InChI |
InChI=1S/C20H20O5/c1-23-16-8-7-14(10-17(16)24-2)20(22)15-6-4-3-5-12(15)9-13-11-25-19(21)18(13)20/h3-8,10,13,18,22H,9,11H2,1-2H3/t13-,18-,20-/m0/s1 |
| InChIKey |
VSLNYPSBSGITNE-GMVOTWDCSA-N |
| Molecular Weight |
340.375 g/mol |
| SMILES |
O[C@@]1([C@]2([C@@](COC2=O)([H])Cc2c1cccc2)[H])c1cc(OC)c(cc1)OC |
| SPLASH |
splash10-004l-0095000000-7c52a07046b002487996 |
| Source of Spectrum |
KC-0-3015-6 |
| Wiley ID |
784726 |
![(3aR,4S,9aR)-4-(3,4-dimethoxyphenyl)-4-hydroxy-1,3a,9,9a-tetrahydrobenzo[f]isobenzofuran-3-one](/api/spectrum/4NThh90a7VB/structure.png?h=300&w=458 "(3aR,4S,9aR)-4-(3,4-dimethoxyphenyl)-4-hydroxy-1,3a,9,9a-tetrahydrobenzo[f]isobenzofuran-3-one")
