| SpectraBase Spectrum ID |
IE73CCGL16m |
| Name |
(1S*,2S*,3S*,4R*,5S*,6S*,7S*,8S*)-1,2,7,8-Tetrachlorotricyclo[4.2.0.0(3,8)]octane-4,5-diacetate |
| Comments |
Less than 3 mono-isotopic peaks |
| Copyright |
Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C12H12Cl4O4 |
| InChI |
InChI=1S/C12H12Cl4O4/c13-9-7-3(1-5(17)18)4(2-6(19)20)8-10(14)11(7,15)12(8,9)16/h3-4,7-10H,1-2H2,(H,17,18)(H,19,20)/t3-,4+,7-,8-,9?,10?,11+,12-/m0/s1 |
| InChIKey |
YHARHOMVKYYOLK-UHFFFAOYSA-N |
| Molecular Weight |
362.036 g/mol |
| SMILES |
OC(C[C@]1([C@@]2([C@]3([C@@]([C@@]([C@]1(CC(=O)O)[H])(C3Cl)[H])(C2Cl)Cl)Cl)[H])[H])=O |
| SPLASH |
splash10-002r-0904000000-5c564cc5c52f87f031e2 |
| Source of Spectrum |
KC-0-796-17 |
| Synonyms |
1,2,7,8-Tetrachlorotricyclo[4.2.0.0(3,8)]octane-4,5-diacetate
[(1S,2S,3R,4R,5S,6S,7S,8S)-5-(carboxymethyl)-1,2,7,8-tetrachlorotricyclo[4.2.0.0(3,8)]oct-4-yl]acetic acid |
| Wiley ID |
780979 |
![(1S*,2S*,3S*,4R*,5S*,6S*,7S*,8S*)-1,2,7,8-Tetrachlorotricyclo[4.2.0.0(3,8)]octane-4,5-diacetate](/api/spectrum/IE73CCGL16m/structure.png?h=300&w=458 "(1S*,2S*,3S*,4R*,5S*,6S*,7S*,8S*)-1,2,7,8-Tetrachlorotricyclo[4.2.0.0(3,8)]octane-4,5-diacetate")
