Dataset

two-dimensional nuclear magnetic resonance spectroscopy (2D NMR)

dataset for two-dimensional nuclear magnetic resonance spectroscopy (2D NMR)\n\n

Chemical Info

molecular Image
InChI InChI=1S/C26H36O3/c1-24-13-10-20(29-17-18-6-4-3-5-7-18)16-19(24)8-9-22-21(24)11-14-25(2)23(27)12-15-26(22,25)28/h3-7,19-22,28H,8-17H2,1-2H3/t19-,20-,21-,22+,24-,25+,26-/m0/s1
SMILES O=C1CC[C@]2([C@]1(C)CC[C@H]1[C@H]2CC[C@@H]2[C@]1(C)CC[C@@H](C2)OCc1ccccc1)O
InChI Key RWAJZRJQGGJQFL-SIGVLJBRSA-N
Molecular Formula C26H36O3
Exact Mass 396.562 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/RWAJZRJQGGJQFL-SIGVLJBRSA-N/CHMO0000598
License URL
Source https://www.chemotion-repository.net/inchikey/RWAJZRJQGGJQFL-SIGVLJBRSA-N/CHMO0000598
Version
Author Sarah Al Muthafer
Maintainer Chemotion Repository
Language english
MetadataCreated 2024-09-07T07:47:57.626631
MetadataModified 2024-09-07T23:36:22.948799
MetadataPublished 2022-10-11
Field Value
Measurement Technique two-dimensional nuclear magnetic resonance spectroscopy
Measurement Variables
Data-Source Molecule ID Data-Source
165369097 PubChem
The data in this table is sourced from UniChem at EBI.