Dataset

fast-atom bombardment mass spectrometry (FABMS)

dataset for fast-atom bombardment mass spectrometry (FABMS)

Chemical Information

molecular Image
InChI InChI=1S/C47H40N4/c1-47(2,3)38-29-37-22-20-32-16-14-31(15-17-32)18-19-33-21-27-40-41(30-38)43(37)51(42(40)28-33)39-25-23-36(24-26-39)46-49-44(34-10-6-4-7-11-34)48-45(50-46)35-12-8-5-9-13-35/h4-17,21,23-30H,18-20,22H2,1-3H3
SMILES CC(c1cc2CCc3ccc(cc3)CCc3ccc4c(c1)c2n(c4c3)c1ccc(cc1)c1nc(nc(n1)c1ccccc1)c1ccccc1)(C)C
InChI Key HXLBNGXQOHGOFK-UHFFFAOYSA-N
Molecular Formula C47H40N4
Exact Mass 660.847 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/HXLBNGXQOHGOFK-UHFFFAOYSA-N/CHMO0000563
License URL
Source https://www.chemotion-repository.net/inchikey/HXLBNGXQOHGOFK-UHFFFAOYSA-N/CHMO0000563
Version
Author Jasmin Seibert
Maintainer Chemotion Repository
Language english
MetadataPublished 2024-07-26
Related Molecule
  • 13-tert-butyl-9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-9-azapentacyclo[16.2.2.14,8.07,11.010,15]tricosa-1(21),4(23),5,7,10(15),11,13,18(22),19-nonaene
    • Field Value
    Measurement Technique fast-atom bombardment mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    No additional information available for this Dataset.