Dataset

Eucalyptol 400 MHz in CDCl3 NMR data .2d

Chemical Info

InChI	InChI=1S/C10H18O/c1-9(2)8-4-6-10(3,11-9)7-5-8/h8H,4-7H2,1-3H3
SMILES	CC12CCC(CC1)C(C)(C)O2
InChI Key	WEEGYLXZBRQIMU-UHFFFAOYSA-N
Molecular Formula	C10H18O
Exact Mass	154.250 g/mol

Data and Resources

• Eucalyptol 400 MHz in CDCl3 NMR data .2dHTML
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Metadata Information

• Additional
• Measurement
• Molecule Data-Sources

Field	Value
DOI	10.57992/nmrxiv.p33.s218.d1205
License URL	https://creativecommons.org/publicdomain/zero/1.0/legalcode
Source	https://nmrxiv.org/D1205
Version
Author	Bisson J, McAlpine JB, Friesen JB, Chen SN, Graham J, Pauli GF.
Maintainer
Language	english
MetadataCreated	2024-04-22T15:26:40.606351
MetadataModified	2025-02-03T14:57:28.958059
MetadataPublished	2023-12-21 14:26:13
Related Molecule

Field	Value
Measurement Technique	2d
Measurement Variables	NMR solvent : CHLOROFORM-D acquisition nucleus : 1H , 13C NMR spectrum by dimensionality : 2 NMR probe : 3448 Temperature : 298.15 K irradiation frequency : 399.79256015247455 MHz , 100.54933803934405 MHz magnetic field strength : 9.389766 Tesla number of scans : 16 scans nuclear magnetic resonance pulse sequence : ghmbcad_auto.jxp Spectral Width : 18.74521883806515 , 250.19477286470737 number of data points : 2048 points relaxation time measurement : 1.5 seconds

Data-Source Molecule ID	Data-Source
CHEMBL485259	ChEMBL
C09844	KEGG Ligand
2464	Guide to Pharmacology
53430	BindingDB
ZINC000000967566	ZINC
4259	DrugCentral
60001993	NMRShiftDB
LMPR0102090019	LipidMaps
DTXSID4020616	EPA CompTox Dashboard
239929	Brenda
CINEOLE	clinicaltrials
EUCALYPTOL	clinicaltrials
EUCALYPTOL	rxnorm
50459887	BindingDB
EUCALYPTOL	DailyMed
J3.281F	Nikkaji
58275	BindingDB
eucalyptol	DailyMed
CB9727874	ChemicalBook
2758	PubChem
PD002333	ProbesDrugs
15120221	PubChem: Thomson Pharma
10458-11-4	ACToR
SCHEMBL19622	SureChEMBL
470-82-6	ACToR
The data in this table is sourced from UniChem at EBI.