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/C9H13O4P/c1-11-8-4-6-9(7-5-8)14(10,12-2)13-3/h4-7H,1-3H3
SMILES COc1ccc(cc1)P(=O)(OC)OC
InChI Key OPDVSBXFRVFBFU-UHFFFAOYSA-N
Molecular Formula C9H13O4P
Exact Mass 216.171 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/OPDVSBXFRVFBFU-UHFFFAOYSA-N/CHMO0000593
License URL
Source https://www.chemotion-repository.net/inchikey/OPDVSBXFRVFBFU-UHFFFAOYSA-N/CHMO0000593
Version
Author Christoph Zippel
Maintainer Chemotion Repository
Language english
MetadataCreated 2024-09-07T05:31:25.509231
MetadataModified 2024-09-07T21:01:46.251404
MetadataPublished 2022-01-10
Related Molecule
Field Value
Measurement Technique 1H nuclear magnetic resonance spectroscopy
Measurement Variables
Data-Source Molecule ID Data-Source
J1.901.741I Nikkaji
ZINC000139589235 ZINC
DTXSID00463015 EPA CompTox Dashboard
SCHEMBL10721682 SureChEMBL
16436166 PubChem: Thomson Pharma
11344950 PubChem
The data in this table is sourced from UniChem at EBI.