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/C15H30O3/c1-3-4-5-6-7-8-9-10-11-12-13-18-15(17)14(2)16/h14,16H,3-13H2,1-2H3
SMILES CCCCCCCCCCCCOC(=O)C(O)C
InChI Key QQQMUBLXDAFBRH-UHFFFAOYSA-N
Molecular Formula C15H30O3
Exact Mass 258.397 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/QQQMUBLXDAFBRH-UHFFFAOYSA-N/NMR/1H/CDCl3/250.1
License URL
Source https://www.chemotion-repository.net/inchikey/QQQMUBLXDAFBRH-UHFFFAOYSA-N/NMR/1H/CDCl3/250.1
Version
Author Sylvia Vanderheiden-Schroen
Maintainer Chemotion Repository
Language english
MetadataCreated 2024-09-06T21:22:45.561571
MetadataModified 2024-09-07T13:49:38.276262
MetadataPublished 2014-08-27
Related Molecule
Field Value
Measurement Technique 1H nuclear magnetic resonance spectroscopy
Measurement Variables
Data-Source Molecule ID Data-Source
22692 PubChem
6283-92-7 ACToR
31230746 eMolecules
15466024 PubChem: Thomson Pharma
129086-71-1 ACToR
SCHEMBL33838 SureChEMBL
J206.844C Nikkaji
LAURYL LACTATE rxnorm
CB9908358 ChemicalBook
G5SU0BFK7O FDA SRS
DTXSID40863737 EPA CompTox Dashboard
CB6506317 ChemicalBook
The data in this table is sourced from UniChem at EBI.