Dataset

infrared absorption spectroscopy (IR)

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

Chemical Info

molecular Image
InChI InChI=1S/C17H10Cl4N2/c1-9-22-16(10-2-12(18)6-13(19)3-10)8-17(23-9)11-4-14(20)7-15(21)5-11/h2-8H,1H3
SMILES Clc1cc(Cl)cc(c1)c1nc(C)nc(c1)c1cc(Cl)cc(c1)Cl
InChI Key XTGFEBOHSVVMNP-UHFFFAOYSA-N
Molecular Formula C17H10Cl4N2
Exact Mass 384.087 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/XTGFEBOHSVVMNP-UHFFFAOYSA-N/IR
License URL
Source https://www.chemotion-repository.net/inchikey/XTGFEBOHSVVMNP-UHFFFAOYSA-N/IR
Version
Author Yu-Chieh Huang
Maintainer Chemotion Repository
Language english
MetadataCreated 2024-09-07T01:23:36.333839
MetadataModified 2024-09-07T15:32:21.855996
MetadataPublished 2019-06-27
Field Value
Measurement Technique infrared absorption spectroscopy
Measurement Variables
Data-Source Molecule ID Data-Source
87223321 PubChem: Thomson Pharma
44541726 PubChem
SCHEMBL18538205 SureChEMBL
J2.771.330K Nikkaji
The data in this table is sourced from UniChem at EBI.