Dataset

1H nuclear magnetic resonance spectroscopy (1H NMR)

dataset for 1H nuclear magnetic resonance spectroscopy (1H NMR)\n\n

Chemical Info

molecular Image
InChI InChI=1S/C33H28O4/c1-21(34)25-5-13-29(14-6-25)33(30-15-7-26(8-16-30)22(2)35,31-17-9-27(10-18-31)23(3)36)32-19-11-28(12-20-32)24(4)37/h5-20H,1-4H3
SMILES CC(=O)c1ccc(cc1)C(c1ccc(cc1)C(=O)C)(c1ccc(cc1)C(=O)C)c1ccc(cc1)C(=O)C
InChI Key CAFYIOYXMUILEU-UHFFFAOYSA-N
Molecular Formula C33H28O4
Exact Mass 488.573 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/CAFYIOYXMUILEU-UHFFFAOYSA-N/CHMO0000593
License URL
Source https://www.chemotion-repository.net/inchikey/CAFYIOYXMUILEU-UHFFFAOYSA-N/CHMO0000593
Version
Author Isabelle Wessely
Maintainer Chemotion Repository
Language english
MetadataCreated 2024-09-07T03:42:28.632643
MetadataModified 2024-09-07T18:41:35.521104
MetadataPublished 2020-08-26
Related Molecule
Field Value
Measurement Technique 1H nuclear magnetic resonance spectroscopy
Measurement Variables
Data-Source Molecule ID Data-Source
10601078 PubChem
J1.418.485F Nikkaji
15630410 PubChem: Thomson Pharma
SCHEMBL13211688 SureChEMBL
The data in this table is sourced from UniChem at EBI.