Dataset

infrared absorption spectroscopy (IR)

dataset for infrared absorption spectroscopy (IR)

Chemical Information

molecular Image
InChI InChI=1S/C38H34/c1-5-29-6-2-27(1)9-11-31-15-19-33(17-13-29)37(25-31)35-21-23-36(24-22-35)38-26-32-12-10-28-3-7-30(8-4-28)14-18-34(38)20-16-32/h1-8,15-16,19-26H,9-14,17-18H2
SMILES c1cc2CCc3ccc(CCc1cc2c1ccc(cc1)c1cc2ccc1CCc1ccc(CC2)cc1)cc3
InChI Key JWUGGVMKZCVAAE-UHFFFAOYSA-N
Molecular Formula C38H34
Exact Mass 490.677 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/JWUGGVMKZCVAAE-UHFFFAOYSA-N/IR.1
License URL
Source https://www.chemotion-repository.net/inchikey/JWUGGVMKZCVAAE-UHFFFAOYSA-N/IR.1
Version
Author Stefan Bräse
Maintainer Chemotion Repository
Language english
MetadataPublished 2019-06-27
Related Molecule
  • 5-[4-(5-tricyclo[8.2.2.24,7]hexadeca-1(13),4,6,10(14),11,15-hexaenyl)phenyl]tricyclo[8.2.2.24,7]hexadeca-1(13),4,6,10(14),11,15-hexaene
    • Field Value
    Measurement Technique infrared absorption spectroscopy
    Measurement Variables
    Data-Source Molecule ID Data-Source
    138453671 PubChem
    The data in this table is sourced from UniChem at EBI.