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/C25H30O7S/c1-4-33-25-23(30-16(2)26)22(28-14-17-8-6-5-7-9-17)21-20(31-25)15-29-24(32-21)18-10-12-19(27-3)13-11-18/h5-13,20-25H,4,14-15H2,1-3H3/t20-,21-,22+,23-,24?,25+/m1/s1
SMILES CCS[C@@H]1O[C@@H]2COC(O[C@H]2[C@@H]([C@H]1OC(=O)C)OCc1ccccc1)c1ccc(cc1)OC
InChI Key IHJZSEBPJFQTAS-DQZWSBCQSA-N
Molecular Formula C25H30O7S
Exact Mass 474.566 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/IHJZSEBPJFQTAS-DQZWSBCQSA-N/NMR/1H/CDCl3/400
License URL
Source https://www.chemotion-repository.net/inchikey/IHJZSEBPJFQTAS-DQZWSBCQSA-N/NMR/1H/CDCl3/400
Version
Author Benjamin Goerling
Maintainer Chemotion Repository
Language english
MetadataCreated 2024-09-06T22:54:29.494789
MetadataModified 2024-09-07T12:18:07.608621
MetadataPublished 2014-05-27
Field Value
Measurement Technique 1H nuclear magnetic resonance spectroscopy
Measurement Variables
Data-Source Molecule ID Data-Source
73427310 PubChem
The data in this table is sourced from UniChem at EBI.