| SpectraBase Spectrum ID |
1bIq0pwZIdM |
| Name |
8'-(Phenylmenthyl) 4,4,4-trichloro-3-hydroxy-2-methylenebutanoate |
| Comments |
Computed using HOSE algorithm |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
432.102577826 u |
| Formula |
C21H27Cl3O3 |
| InChI |
InChI=1S/C21H27Cl3O3/c1-13-10-11-16(20(3,4)15-8-6-5-7-9-15)17(12-13)27-19(26)14(2)18(25)21(22,23)24/h5-9,13,16-18,25H,2,10-12H2,1,3-4H3/t13-,16+,17+,18?/m0/s1 |
| InChIKey |
PVJCBZMBSJUEIF-QKARTMHWSA-N |
| Molecular Weight |
433.803 g/mol |
| SMILES |
C(C(O[C@]1([C@](C(C2=CC=CC=C2)(C)C)(CC[C@@](C1)(C)[H])[H])[H])=O)(C(C(Cl)(Cl)Cl)O)=C |
