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/C8H17O3PS2/c1-3-10-12(9,11-4-2)8-13-6-5-7-14-8/h8H,3-7H2,1-2H3
SMILES CCOP(=O)(C1SCCCS1)OCC
InChI Key BGXBJZCFBVTFFP-UHFFFAOYSA-N
Molecular Formula C8H17O3PS2
Exact Mass 256.323 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/BGXBJZCFBVTFFP-UHFFFAOYSA-N/NMR/1H/CDCl3/300.1
License URL
Source https://www.chemotion-repository.net/inchikey/BGXBJZCFBVTFFP-UHFFFAOYSA-N/NMR/1H/CDCl3/300.1
Version
Author Steven Susanto
Maintainer Chemotion Repository
Language english
MetadataCreated 2024-09-06T22:17:49.103841
MetadataModified 2024-09-07T14:10:10.064440
MetadataPublished 2015-10-31
Related Molecule
Field Value
Measurement Technique 1H nuclear magnetic resonance spectroscopy
Measurement Variables
Data-Source Molecule ID Data-Source
ZINC000034543740 ZINC
J585.288I Nikkaji
DTXSID20446542 EPA CompTox Dashboard
36750001 eMolecules
15998382 PubChem: Thomson Pharma
SCHEMBL2440947 SureChEMBL
10869064 PubChem
The data in this table is sourced from UniChem at EBI.