| SpectraBase Spectrum ID |
H4ci12seWou |
| Name |
(1.alpha.,3.alpha.,6.alpha.)-7,7-dichloro-3-hydroxy-6-(2',3',4'-trimethoxyphenyl)bicyclo[4.1.0]heptan-2-one |
| Alternate Name(s) |
(1R,3R,6R)-7,7-dichloro-3-hydroxy-6-(2,3,4-trimethoxyphenyl)bicyclo[4.1.0]heptan-2-one |
| CAS Registry Number |
116211-74-6 |
| Comments |
Less than 3 mono-isotopic peaks |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C16H18Cl2O5 |
| InChI |
InChI=1S/C16H18Cl2O5/c1-21-10-5-4-8(12(22-2)13(10)23-3)15-7-6-9(19)11(20)14(15)16(15,17)18/h4-5,9,14,19H,6-7H2,1-3H3/t9-,14+,15+/m1/s1 |
| InChIKey |
DATLKTTXMHIGQD-NKZPBKNFSA-N |
| Molecular Weight |
361.221 g/mol |
| SMILES |
O[C@@]1(CC[C@]2(C(Cl)(Cl)[C@]2(C1=O)[H])c1c(c(OC)c(cc1)OC)OC)[H] |
| SPLASH |
splash10-01ot-9006000000-dd46b4109e9ed58b8248 |
| Source of Spectrum |
J-53-4951-18 |
| Wiley ID |
1348075 |
![(1.alpha.,3.alpha.,6.alpha.)-7,7-dichloro-3-hydroxy-6-(2',3',4'-trimethoxyphenyl)bicyclo[4.1.0]heptan-2-one](/api/spectrum/H4ci12seWou/structure.png?h=300&w=458 "(1.alpha.,3.alpha.,6.alpha.)-7,7-dichloro-3-hydroxy-6-(2',3',4'-trimethoxyphenyl)bicyclo[4.1.0]heptan-2-one")
