Dataset

infrared absorption spectroscopy (IR)

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

Chemical Info

molecular Image
InChI InChI=1S/C18H16/c1-2-17-13-16-8-7-14-3-5-15(6-4-14)9-11-18(17)12-10-16/h1,3-6,10,12-13H,7-9,11H2
SMILES C#Cc1cc2CCc3ccc(CCc1cc2)cc3
InChI Key GCRYBHUTYSZNKJ-UHFFFAOYSA-N
Molecular Formula C18H16
Exact Mass 232.320 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/GCRYBHUTYSZNKJ-UHFFFAOYSA-N/IR.2
License URL
Source https://www.chemotion-repository.net/inchikey/GCRYBHUTYSZNKJ-UHFFFAOYSA-N/IR.2
Version
Author Yu-Chieh Huang
Maintainer Chemotion Repository
Language english
MetadataCreated 2024-09-07T01:22:32.445438
MetadataModified 2024-09-07T15:30:49.553674
MetadataPublished 2019-06-27
Field Value
Measurement Technique infrared absorption spectroscopy
Measurement Variables
Data-Source Molecule ID Data-Source
568953 PubChem
CIKBOO CCDC
SCHEMBL5273760 SureChEMBL
J1.057.312B Nikkaji
20181617 NMRShiftDB
The data in this table is sourced from UniChem at EBI.