Dataset

Chamazulene[6]

This dataset contains NMR spectra obtained for the sample containing Chamazulene

Chemical Information

molecular Image

InChI	InChI=1S/C14H16/c1-4-12-7-5-10(2)13-8-6-11(3)14(13)9-12/h5-9H,4H2,1-3H3
SMILES	CCC1=CC2=C(C)C=CC2=C(C)C=C1
InChI Key	GXGJIOMUZAGVEH-UHFFFAOYSA-N
Molecular Formula	C14H16
Exact Mass	184.280 g/mol

Data and Resources

Chamazulene[6]HTML

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Metadata Information

Field	Value
DOI	10.57992/nmrxiv.p42.s1312.d5766
License URL	https://creativecommons.org/licenses/by/4.0/legalcode
Source	https://nmrxiv.org/D5766
Version
Author	Peter Spiteller
Maintainer
Language	english
MetadataPublished	2025-08-31T17:42:30.000000Z
Related Molecule

Field	Value
Measurement Technique
Measurement Variables	NMR solvent : acquisition nucleus : NMR spectrum by dimensionality : NMR probe : Temperature : K magnetic field strength : Tesla number of scans : scans nuclear magnetic resonance pulse sequence : Spectral Width : number of data points : points relaxation time measurement : seconds

Data-Source Molecule ID	Data-Source
CB9156807	ChemicalBook
DB15931	DrugBank
3573	ChEBI
J9.436F	Nikkaji
LMPR0103410002	LipidMaps
ZINC000000968466	ZINC
DTXSID70200939	EPA CompTox Dashboard
CHEMBL495665	ChEMBL
C09633	KEGG Ligand
HMDB0036470	Human Metabolome Database
10719	PubChem
SCHEMBL180449	SureChEMBL
20213347	NMRShiftDB
15042161	PubChem: Thomson Pharma
PD143830	ProbesDrugs
529-05-5	ACToR
Z439UH6E5F	FDA SRS
31265310	eMolecules
The data in this table is sourced from UniChem at EBI.