Dataset

high-resolution mass spectrometry (HRMS)

dataset for high-resolution mass spectrometry (HRMS)

Chemical Information

molecular Image
InChI InChI=1S/C21H33N3O6/c1-19(2,3)28-16(25)10-13(22)11(17(26)29-20(4,5)6)15(24)12(14(10)23)18(27)30-21(7,8)9/h22-24H2,1-9H3
SMILES O=C(c1c(N)c(C(=O)OC(C)(C)C)c(c(c1N)C(=O)OC(C)(C)C)N)OC(C)(C)C
InChI Key JYBSZBKAERXMLG-UHFFFAOYSA-N
Molecular Formula C21H33N3O6
Exact Mass 423.503 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/JYBSZBKAERXMLG-UHFFFAOYSA-N/CHMO0000498
License URL
Source https://www.chemotion-repository.net/inchikey/JYBSZBKAERXMLG-UHFFFAOYSA-N/CHMO0000498
Version
Author Lisa Schmidt
Maintainer Chemotion Repository
Language english
MetadataPublished 2022-06-23
Related Molecule
  • tritert-butyl 2,4,6-triaminobenzene-1,3,5-tricarboxylate
    • Field Value
    Measurement Technique high-resolution mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    163407578 PubChem
    The data in this table is sourced from UniChem at EBI.