Dataset

infrared absorption spectroscopy (IR)

dataset for infrared absorption spectroscopy (IR)\n\n

Chemical Info

molecular Image
InChI InChI=1S/C29H8F20O4/c30-5-9(34)17(42)25(18(43)10(5)35)50-1-29(2-51-26-19(44)11(36)6(31)12(37)20(26)45,3-52-27-21(46)13(38)7(32)14(39)22(27)47)4-53-28-23(48)15(40)8(33)16(41)24(28)49/h1-4H2
SMILES Fc1c(OCC(COc2c(F)c(F)c(c(c2F)F)F)(COc2c(F)c(F)c(c(c2F)F)F)COc2c(F)c(F)c(c(c2F)F)F)c(F)c(c(c1F)F)F
InChI Key XLECPAYGUDAPKN-UHFFFAOYSA-N
Molecular Formula C29H8F20O4
Exact Mass 800.339 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/XLECPAYGUDAPKN-UHFFFAOYSA-N/CHMO0000630
License URL
Source https://www.chemotion-repository.net/inchikey/XLECPAYGUDAPKN-UHFFFAOYSA-N/CHMO0000630
Version
Author Lisa Schmidt
Maintainer Chemotion Repository
Language english
MetadataCreated 2024-09-08T02:02:42.698746
MetadataModified 2024-09-08T02:02:42.698752
MetadataPublished 2023-12-05
Field Value
Measurement Technique infrared absorption spectroscopy
Measurement Variables
Data-Source Molecule ID Data-Source
152409620 PubChem
The data in this table is sourced from UniChem at EBI.