Dataset

infrared absorption spectroscopy (IR)

dataset for infrared absorption spectroscopy (IR)

Chemical Information

molecular Image
InChI InChI=1S/C18H27N3O6/c1-7(2)25-16(22)10-13(19)11(17(23)26-8(3)4)15(21)12(14(10)20)18(24)27-9(5)6/h7-9H,19-21H2,1-6H3
SMILES CC(OC(=O)c1c(N)c(C(=O)OC(C)C)c(c(c1N)C(=O)OC(C)C)N)C
InChI Key RJJPADYKFCVKLL-UHFFFAOYSA-N
Molecular Formula C18H27N3O6
Exact Mass 381.423 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/RJJPADYKFCVKLL-UHFFFAOYSA-N/CHMO0000630
License URL
Source https://www.chemotion-repository.net/inchikey/RJJPADYKFCVKLL-UHFFFAOYSA-N/CHMO0000630
Version
Author Lisa Schmidt
Maintainer Chemotion Repository
Language english
MetadataPublished 2022-06-23
Related Molecule
  • tripropan-2-yl 2,4,6-triaminobenzene-1,3,5-tricarboxylate
    • Field Value
    Measurement Technique infrared absorption spectroscopy
    Measurement Variables
    Data-Source Molecule ID Data-Source
    163407591 PubChem
    The data in this table is sourced from UniChem at EBI.