Dataset

infrared absorption spectroscopy (IR)

dataset for infrared absorption spectroscopy (IR)

Chemical Information

molecular Image
InChI InChI=1S/C30H18BNO3/c1-4-13-26-20(8-1)21-9-7-10-22-23-18-19(16-17-27(23)35-31(34-26)30(21)22)32-24-11-2-5-14-28(24)33-29-15-6-3-12-25(29)32/h1-18H
SMILES c1ccc2c(c1)Oc1c(N2c2ccc3c(c2)c2cccc4c2b(o3)oc2c4cccc2)cccc1
InChI Key FDJLVIPJRAVJOM-UHFFFAOYSA-N
Molecular Formula C30H18BNO3
Exact Mass 451.280 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/FDJLVIPJRAVJOM-UHFFFAOYSA-N/CHMO0000630
License URL
Source https://www.chemotion-repository.net/inchikey/FDJLVIPJRAVJOM-UHFFFAOYSA-N/CHMO0000630
Version
Author Zhen Zhang
Maintainer Chemotion Repository
Language english
MetadataPublished 2020-10-26
Related Molecule
  • 10-(2,20-dioxa-1-borapentacyclo[11.7.1.03,8.09,21.014,19]henicosa-3(8),4,6,9,11,13(21),14,16,18-nonaen-6-yl)phenoxazine
    • Field Value
    Measurement Technique infrared absorption spectroscopy
    Measurement Variables
    Data-Source Molecule ID Data-Source
    154723622 PubChem
    UKUBOU CCDC
    The data in this table is sourced from UniChem at EBI.