| SpectraBase Spectrum ID |
2PPH0z14zcN |
| Name |
(2S,3S,6S)-6-Chloro-2,3-isopropylidenedioxycyclohexanone |
| Alternate Name(s) |
(3aS,5S,7aS)-5-chloro-2,2-dimethyltetrahydro-1,3-benzodioxol-4(3aH)-one |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C9H13ClO3 |
| InChI |
InChI=1S/C9H13ClO3/c1-9(2)12-6-4-3-5(10)7(11)8(6)13-9/h5-6,8H,3-4H2,1-2H3/t5-,6-,8-/m0/s1 |
| InChIKey |
RSBHUTHSYNMVJL-HAFWLYHUSA-N |
| Molecular Weight |
204.653 g/mol |
| SMILES |
[C@]12(C([C@@](Cl)(CC[C@@]1(OC(O2)(C)C)[H])[H])=O)[H] |
| SPLASH |
splash10-0006-9400000000-55f57f67b4ef751fb60e |
| Source of Spectrum |
KD-16-1398-23 |
| Wiley ID |
1637647 |
