Dataset

31P nuclear magnetic resonance spectroscopy (31P NMR)

dataset for 31P nuclear magnetic resonance spectroscopy (31P NMR)\n\n

Chemical Info

molecular Image
InChI InChI=1S/C12H27P/c1-10(2,3)13(11(4,5)6)12(7,8)9/h1-9H3
SMILES CC(P(C(C)(C)C)C(C)(C)C)(C)C
InChI Key BWHDROKFUHTORW-UHFFFAOYSA-N
Molecular Formula C12H27P
Exact Mass 202.317 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/BWHDROKFUHTORW-UHFFFAOYSA-N/CHMO0000739
License URL
Source https://www.chemotion-repository.net/inchikey/BWHDROKFUHTORW-UHFFFAOYSA-N/CHMO0000739
Version
Author Michael Konstantinos Bogdos
Maintainer Chemotion Repository
Language english
MetadataCreated 2024-09-07T08:00:56.983351
MetadataModified 2024-09-07T23:53:30.644942
MetadataPublished 2022-11-21
Field Value
Measurement Technique 31P nuclear magnetic resonance spectroscopy
Measurement Variables
Data-Source Molecule ID Data-Source
J278.010K Nikkaji
SCHEMBL28566 SureChEMBL
30000811 NMRShiftDB
YUHXEE CCDC
83681 PubChem
15220049 PubChem: Thomson Pharma
13716-12-6 ACToR
498695 eMolecules
ZINC000002560563 ZINC
CB9483150 ChemicalBook
DTXSID80160090 EPA CompTox Dashboard
The data in this table is sourced from UniChem at EBI.