Dataset

infrared absorption spectroscopy (IR)

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

Chemical Info

molecular Image
InChI InChI=1S/C10H5F3N2O3/c11-10(12,13)7-8(16)15-5-2-1-4(9(17)18)3-6(5)14-7/h1-3H,(H,15,16)(H,17,18)
SMILES OC(=O)c1ccc2c(c1)nc(c(=O)[nH]2)C(F)(F)F
InChI Key QCOIWEBIQVDGKJ-UHFFFAOYSA-N
Molecular Formula C10H5F3N2O3
Exact Mass 258.154 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/QCOIWEBIQVDGKJ-UHFFFAOYSA-N/CHMO0000630
License URL
Source https://www.chemotion-repository.net/inchikey/QCOIWEBIQVDGKJ-UHFFFAOYSA-N/CHMO0000630
Version
Author Laura Holzhauer
Maintainer Chemotion Repository
Language english
MetadataCreated 2025-03-15T03:10:30.793843
MetadataModified 2025-03-16T03:10:51.417957
MetadataPublished 2025-03-14
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