Dataset

fast-atom bombardment mass spectrometry (FABMS)

dataset for fast-atom bombardment mass spectrometry (FABMS)

Chemical Information

molecular Image
InChI InChI=1S/C37H33IO4Si/c1-36(2,3)43(26-14-6-4-7-15-26,27-16-8-5-9-17-27)42-25-22-23-37(35(41)30-20-12-13-21-32(30)38)31(24-25)33(39)28-18-10-11-19-29(28)34(37)40/h4-22,31H,23-24H2,1-3H3/t31-,37+/m0/s1
SMILES Ic1ccccc1C(=O)[C@]12CC=C(C[C@H]1C(=O)c1c(C2=O)cccc1)O[Si](C(C)(C)C)(c1ccccc1)c1ccccc1
InChI Key VGCVCLYBTDPLCW-DWEWYUIOSA-N
Molecular Formula C37H33IO4Si
Exact Mass 696.645 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/VGCVCLYBTDPLCW-DWEWYUIOSA-N/CHMO0000563
License URL
Source https://www.chemotion-repository.net/inchikey/VGCVCLYBTDPLCW-DWEWYUIOSA-N/CHMO0000563
Version
Author Janina Beck
Maintainer Chemotion Repository
Language english
MetadataPublished 2020-05-07
Related Molecule
  • (4aR,9aR)-3-[tert-butyl(diphenyl)silyl]oxy-9a-(2-iodobenzoyl)-4,4a-dihydro-1H-anthracene-9,10-dione
    • Field Value
    Measurement Technique fast-atom bombardment mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    146035845 PubChem
    The data in this table is sourced from UniChem at EBI.