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/C9H19IO4/c1-11-4-5-13-8-9-14-7-6-12-3-2-10/h2-9H2,1H3
SMILES COCCOCCOCCOCCI
InChI Key KBOKJZSZVAHUPY-UHFFFAOYSA-N
Molecular Formula C9H19IO4
Exact Mass 318.149 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/KBOKJZSZVAHUPY-UHFFFAOYSA-N/NMR/1H/CDCl3/400.1
License URL
Source https://www.chemotion-repository.net/inchikey/KBOKJZSZVAHUPY-UHFFFAOYSA-N/NMR/1H/CDCl3/400.1
Version
Author Sylvia Vanderheiden-Schroen
Maintainer Chemotion Repository
Language english
MetadataCreated 2024-09-06T21:23:29.068881
MetadataModified 2024-09-07T13:50:50.559509
MetadataPublished 2014-08-30
Related Molecule
Field Value
Measurement Technique 1H nuclear magnetic resonance spectroscopy
Measurement Variables
Data-Source Molecule ID Data-Source
DTXSID10617643 EPA CompTox Dashboard
SCHEMBL1534459 SureChEMBL
21737107 PubChem
The data in this table is sourced from UniChem at EBI.