Dataset

31P nuclear magnetic resonance spectroscopy (31P NMR)

Chemical Info

InChI	InChI=1S/C9H13O3P/c1-8-4-6-9(7-5-8)13(10,11-2)12-3/h4-7H,1-3H3
SMILES	COP(=O)(c1ccc(cc1)C)OC
InChI Key	OJXAATCZRHUZDB-UHFFFAOYSA-N
Molecular Formula	C9H13O3P
Exact Mass	200.171 g/mol

Data and Resources

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Metadata Information

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• Measurement
• Molecule Data-Sources

Field	Value
DOI	10.14272/OJXAATCZRHUZDB-UHFFFAOYSA-N/CHMO0000739
License URL
Source	https://www.chemotion-repository.net/inchikey/OJXAATCZRHUZDB-UHFFFAOYSA-N/CHMO0000739
Version
Author	Christoph Zippel
Maintainer	Chemotion Repository
Language	english
MetadataCreated	2024-09-07T05:38:03.610042
MetadataModified	2024-09-07T21:10:09.973146
MetadataPublished	2022-01-10

Field	Value
Measurement Technique	31P nuclear magnetic resonance spectroscopy
Measurement Variables

Data-Source Molecule ID	Data-Source
14613550	PubChem
SCHEMBL384926	SureChEMBL
ZINC000113706591	ZINC
DTXSID70562180	EPA CompTox Dashboard
J1.901.742G	Nikkaji
The data in this table is sourced from UniChem at EBI.