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/C15H22O5S/c1-2-21-15-13(18)14(12(17)11(8-16)20-15)19-9-10-6-4-3-5-7-10/h3-7,11-18H,2,8-9H2,1H3/t11-,12-,13-,14+,15+/m1/s1
SMILES CCS[C@@H]1O[C@H](CO)[C@H]([C@@H]([C@H]1O)OCc1ccccc1)O
InChI Key QZYDYKUQPIMRSF-ZSAUSMIDSA-N
Molecular Formula C15H22O5S
Exact Mass 314.397 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/QZYDYKUQPIMRSF-ZSAUSMIDSA-N/NMR/1H/CDCl3/400
License URL
Source https://www.chemotion-repository.net/inchikey/QZYDYKUQPIMRSF-ZSAUSMIDSA-N/NMR/1H/CDCl3/400
Version
Author Benjamin Goerling
Maintainer Chemotion Repository
Language english
MetadataCreated 2024-09-06T22:32:50.689759
MetadataModified 2024-09-07T11:51:24.247170
MetadataPublished 2014-05-27
Field Value
Measurement Technique 1H nuclear magnetic resonance spectroscopy
Measurement Variables