Dataset

31P nuclear magnetic resonance spectroscopy (31P NMR)

Chemical Info

InChI	InChI=1S/C11H17O3P/c1-8-6-9(2)11(10(3)7-8)15(12,13-4)14-5/h6-7H,1-5H3
SMILES	COP(=O)(c1c(C)cc(cc1C)C)OC
InChI Key	SJCMNWBMJLIBAW-UHFFFAOYSA-N
Molecular Formula	C11H17O3P
Exact Mass	228.225 g/mol

Data and Resources

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Metadata Information

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• Measurement
• Molecule Data-Sources

Field	Value
DOI	10.14272/SJCMNWBMJLIBAW-UHFFFAOYSA-N/CHMO0000739
License URL
Source	https://www.chemotion-repository.net/inchikey/SJCMNWBMJLIBAW-UHFFFAOYSA-N/CHMO0000739
Version
Author	Christoph Zippel
Maintainer	Chemotion Repository
Language	english
MetadataCreated	2024-09-07T05:37:35.230332
MetadataModified	2024-09-07T21:09:33.441656
MetadataPublished	2022-01-10

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

Data-Source Molecule ID	Data-Source
13836137	PubChem
SCHEMBL10726879	SureChEMBL
ZINC000034164997	ZINC
J3.252.773F	Nikkaji
The data in this table is sourced from UniChem at EBI.