SpectraBase Compound ID | LSFk3G1kx7U |
---|---|
InChI | InChI=1S/C12H15ClF2O2/c1-11(2)8-4-3-7(9(11)5-8)6-17-10(16)12(13,14)15/h3,8-9H,4-6H2,1-2H3 |
InChIKey | YBHCDNFUIZPXTA-UHFFFAOYSA-N |
Mol Weight | 264.7 g/mol |
Molecular Formula | C12H15ClF2O2 |
Exact Mass | 264.072864 g/mol |
SpectraBase Spectrum ID | 6rbimIdVCmb |
---|---|
Name | (-)-myrtenol, chlorodifluoroacetate |
Comments | Computed using HOSE algorithm |
Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass | 264.072863747 u |
Formula | C12H15ClF2O2 |
InChI | InChI=1S/C12H15ClF2O2/c1-11(2)8-4-3-7(9(11)5-8)6-17-10(16)12(13,14)15/h3,8-9H,4-6H2,1-2H3 |
InChIKey | YBHCDNFUIZPXTA-UHFFFAOYSA-N |
Molecular Weight | 264.700 g/mol |
SMILES | C1(=CCC2C(C1C2)(C)C)COC(C(F)(F)Cl)=O |