SpectraBase Spectrum ID |
Cg7ZO0e6Ih7 |
Name |
Pimelic acid, 2,3,5-trichlorophenyl 4-methylpent-2-yl ester |
Copyright |
Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Formula |
C19H25Cl3O4 |
InChI |
InChI=1S/C19H25Cl3O4/c1-12(2)9-13(3)25-17(23)7-5-4-6-8-18(24)26-16-11-14(20)10-15(21)19(16)22/h10-13H,4-9H2,1-3H3 |
InChIKey |
YKIHWCBVSZMIOQ-UHFFFAOYSA-N |
Molecular Weight |
423.764 g/mol |
SMILES |
C(CCCCCC(Oc1c(c(cc(c1)Cl)Cl)Cl)=O)(OC(CC(C)C)C)=O |
SPLASH |
splash10-0006-9500000000-576ce0bf859c36c2c85d |
Source of Spectrum |
TIPS-2022-455-0 |
Wiley ID |
1821972 |