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/C8H10FO3P/c1-11-13(10,12-2)8-5-3-7(9)4-6-8/h3-6H,1-2H3
SMILES COP(=O)(c1ccc(cc1)F)OC
InChI Key VGJOAISDEPXNNN-UHFFFAOYSA-N
Molecular Formula C8H10FO3P
Exact Mass 204.135 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/VGJOAISDEPXNNN-UHFFFAOYSA-N/CHMO0000593
License URL
Source https://www.chemotion-repository.net/inchikey/VGJOAISDEPXNNN-UHFFFAOYSA-N/CHMO0000593
Version
Author Christoph Zippel
Maintainer Chemotion Repository
Language english
MetadataCreated 2024-09-07T05:33:52.338113
MetadataModified 2024-09-07T21:04:52.259507
MetadataPublished 2022-01-10
Related Molecule
Field Value
Measurement Technique 1H nuclear magnetic resonance spectroscopy
Measurement Variables
Data-Source Molecule ID Data-Source
86170303 PubChem
SCHEMBL17923949 SureChEMBL
ZINC000219030801 ZINC
J3.322.620I Nikkaji
The data in this table is sourced from UniChem at EBI.