Dataset

13C nuclear magnetic resonance spectroscopy (13C NMR)

Chemical Info

InChI	InChI=1S/C12H18O2/c13-9-5-2-6-10-14-11-12-7-3-1-4-8-12/h1,3-4,7-8,13H,2,5-6,9-11H2
SMILES	OCCCCCOCc1ccccc1
InChI Key	RZVDPWSEPVHOPU-UHFFFAOYSA-N
Molecular Formula	C12H18O2
Exact Mass	194.270 g/mol

Data and Resources

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Metadata Information

• Additional
• Measurement
• Molecule Data-Sources

Field	Value
DOI	10.14272/RZVDPWSEPVHOPU-UHFFFAOYSA-N/NMR/13C/CDCl3/100
License URL
Source	https://www.chemotion-repository.net/inchikey/RZVDPWSEPVHOPU-UHFFFAOYSA-N/NMR/13C/CDCl3/100
Version
Author	Nicole Jung
Maintainer	Chemotion Repository
Language	english
MetadataCreated	2024-09-06T23:50:19.984174
MetadataModified	2024-09-07T13:11:36.560499
MetadataPublished	2014-05-27

Field	Value
Measurement Technique	13C nuclear magnetic resonance spectroscopy
Measurement Variables

Data-Source Molecule ID	Data-Source
SCHEMBL97795	SureChEMBL
221194	PubChem
ZINC000001686936	ZINC
J117.517C	Nikkaji
DTXSID90277966	EPA CompTox Dashboard
CB0298829	ChemicalBook
507246	eMolecules
4541-15-5	ACToR
16045394	PubChem: Thomson Pharma
The data in this table is sourced from UniChem at EBI.