Dataset

infrared absorption spectroscopy (IR)

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

Chemical Info

molecular Image
InChI InChI=1S/C23H15F9O3/c1-12-4-2-3-5-14(12)10-15-11-16-17(33)8-13(9-18(16)35-19(15)34)6-7-20(24,25)21(26,27)22(28,29)23(30,31)32/h2-9,11,33H,10H2,1H3/b7-6+
SMILES O=c1oc2cc(/C=C/C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)cc(c2cc1Cc1ccccc1C)O
InChI Key NXZQLMOYOVHVAM-VOTSOKGWSA-N
Molecular Formula C23H15F9O3
Exact Mass 510.349 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/NXZQLMOYOVHVAM-VOTSOKGWSA-N/IR
License URL
Source https://www.chemotion-repository.net/inchikey/NXZQLMOYOVHVAM-VOTSOKGWSA-N/IR
Version
Author Yu-Chieh Huang
Maintainer Chemotion Repository
Language english
MetadataCreated 2024-09-07T01:11:40.280086
MetadataModified 2024-09-07T15:14:43.409358
MetadataPublished 2019-06-27
Related Molecule
Field Value
Measurement Technique infrared absorption spectroscopy
Measurement Variables
Data-Source Molecule ID Data-Source
138453447 PubChem
The data in this table is sourced from UniChem at EBI.