Dataset

13C nuclear magnetic resonance spectroscopy (13C NMR)

dataset for 13C nuclear magnetic resonance spectroscopy (13C NMR)\n\n

Chemical Info

molecular Image
InChI InChI=1S/C30H24O3/c1-19(31)22-4-10-25(11-5-22)28-16-29(26-12-6-23(7-13-26)20(2)32)18-30(17-28)27-14-8-24(9-15-27)21(3)33/h4-18H,1-3H3
SMILES CC(=O)c1ccc(cc1)c1cc(cc(c1)c1ccc(cc1)C(=O)C)c1ccc(cc1)C(=O)C
InChI Key XSVGLMQQYMQCTR-UHFFFAOYSA-N
Molecular Formula C30H24O3
Exact Mass 432.510 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/XSVGLMQQYMQCTR-UHFFFAOYSA-N/CHMO0000595
License URL
Source https://www.chemotion-repository.net/inchikey/XSVGLMQQYMQCTR-UHFFFAOYSA-N/CHMO0000595
Version
Author Isabelle Wessely
Maintainer Chemotion Repository
Language english
MetadataCreated 2024-09-07T03:43:49.062164
MetadataModified 2024-09-07T18:43:19.175364
MetadataPublished 2020-08-26
Field Value
Measurement Technique 13C nuclear magnetic resonance spectroscopy
Measurement Variables
Data-Source Molecule ID Data-Source
CB42716718 ChemicalBook
MCULE-2682682943 Mcule
SCHEMBL11754087 SureChEMBL
4914102 PubChem
6733329 eMolecules
ZINC000014923738 ZINC
DTXSID70406777 EPA CompTox Dashboard
J3.563.175E Nikkaji
The data in this table is sourced from UniChem at EBI.