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/C36H36O3/c1-22(2)34(37)28-13-7-25(8-14-28)31-19-32(26-9-15-29(16-10-26)35(38)23(3)4)21-33(20-31)27-11-17-30(18-12-27)36(39)24(5)6/h7-24H,1-6H3
SMILES CC(C(=O)c1ccc(cc1)c1cc(cc(c1)c1ccc(cc1)C(=O)C(C)C)c1ccc(cc1)C(=O)C(C)C)C
InChI Key SASADIUGQAVSRR-UHFFFAOYSA-N
Molecular Formula C36H36O3
Exact Mass 516.669 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/SASADIUGQAVSRR-UHFFFAOYSA-N/CHMO0000593
License URL
Source https://www.chemotion-repository.net/inchikey/SASADIUGQAVSRR-UHFFFAOYSA-N/CHMO0000593
Version
Author Isabelle Wessely
Maintainer Chemotion Repository
Language english
MetadataCreated 2024-09-07T03:42:02.046729
MetadataModified 2024-09-07T18:41:09.093856
MetadataPublished 2020-08-26
Field Value
Measurement Technique 1H nuclear magnetic resonance spectroscopy
Measurement Variables
Data-Source Molecule ID Data-Source
154573661 PubChem
The data in this table is sourced from UniChem at EBI.