Dataset

infrared absorption spectroscopy (IR)

dataset for infrared absorption spectroscopy (IR)

Chemical Information

molecular Image
InChI InChI=1S/C32H12N20.Zn/c33-49-45-13-1-5-17-21(9-13)29-37-25(17)41-30-22-10-14(46-50-34)2-6-18(22)27(38-30)43-32-24-12-16(48-52-36)4-8-20(24)28(40-32)44-31-23-11-15(47-51-35)3-7-19(23)26(39-31)42-29;/h1-12H;/q-2;+2
SMILES [N-]=[N+]=Nc1ccc2c(c1)C1=N/C/2=N\c2n3[Zn]n4/c(=N\1)/c1ccc(cc1/c/4=N/C1=N/C(=N\c3c3c2cc(N=[N+]=[N-])cc3)/c2c1ccc(c2)N=[N+]=[N-])N=[N+]=[N-]
InChI Key OTSOKOBLYDZRBG-UHFFFAOYSA-N
Molecular Formula C32H12N20Zn
Exact Mass 741.952 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/OTSOKOBLYDZRBG-UHFFFAOYSA-N/CHMO0000630
License URL
Source https://www.chemotion-repository.net/inchikey/OTSOKOBLYDZRBG-UHFFFAOYSA-N/CHMO0000630
Version
Author Yannick Matt
Maintainer Chemotion Repository
Language english
MetadataPublished 2023-03-01
Related Molecule
  • zinc;6,15,24,33-tetraazido-2,11,20,29,37,39-hexaza-38,40-diazanidanonacyclo[28.6.1.13,10.112,19.121,28.04,9.013,18.022,27.031,36]tetraconta-1,3,5,7,9,11,13(18),14,16,19(39),20,22(27),23,25,28,30(37),31(36),32,34-nonadecaene
    • Field Value
    Measurement Technique infrared absorption spectroscopy
    Measurement Variables
    Data-Source Molecule ID Data-Source
    166638636 PubChem
    The data in this table is sourced from UniChem at EBI.