Dataset

infrared absorption spectroscopy (IR)

dataset for infrared absorption spectroscopy (IR)

Chemical Information

molecular Image
InChI InChI=1S/C42H45N5/c1-23(2)35-39(45-33-17-13-11-15-31(33)43-35)29-21-25(41(5,6)7)19-27-28-20-26(42(8,9)10)22-30(38(28)47-37(27)29)40-36(24(3)4)44-32-16-12-14-18-34(32)46-40/h11-24,47H,1-10H3
SMILES CC(c1nc2ccccc2nc1c1cc(cc2c1[nH]c1c2cc(cc1c1nc2ccccc2nc1C(C)C)C(C)(C)C)C(C)(C)C)C
InChI Key MZBRYSDIDZMVHT-UHFFFAOYSA-N
Exact Mass 619.840 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/MZBRYSDIDZMVHT-UHFFFAOYSA-N/CHMO0000630
License URL
Source https://www.chemotion-repository.net/inchikey/MZBRYSDIDZMVHT-UHFFFAOYSA-N/CHMO0000630
Version
Author Victor Larignon
Maintainer Chemotion Repository
Language english
MetadataPublished 2025-03-17
Related Molecule
  • 3,6-ditert-butyl-1,8-bis(3-propan-2-ylquinoxalin-2-yl)-9H-carbazole
    • Field Value
    Measurement Technique infrared absorption spectroscopy
    Measurement Variables
    Data-Source Molecule ID Data-Source
    172877829 pubchem
    The data in this table is sourced from UniChem at EBI.