Dataset

(-)-Menthol.hmbc

Chemical Info

InChI	InChI=1S/C10H20O/c1-7(2)9-5-4-8(3)6-10(9)11/h7-11H,4-6H2,1-3H3/t8-,9-,10-/m0/s1
SMILES	CC(C)[C@@H]1CC[C@H](C)C[C@@H]1O
InChI Key	NOOLISFMXDJSKH-GUBZILKMSA-N
Molecular Formula	C10H20O
Exact Mass	156.260 g/mol

Data and Resources

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Metadata Information

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• Molecule Data-Sources

Field	Value
DOI	10.57992/nmrxiv.p42.s243.d1402
License URL	https://creativecommons.org/licenses/by/4.0/legalcode
Source	https://nmrxiv.org/D1402
Version
Author	Peter Spiteller
Maintainer
Language	english
MetadataCreated	2024-04-22T15:50:19.175584
MetadataModified	2024-09-23T09:29:44.716156
MetadataPublished	2023-12-24 21:57:47

Field	Value
Measurement Technique	heteronuclear multiple bond coherence
Measurement Variables	NMR solvent : CDCl3 acquisition nucleus : ['1H', '13C'] NMR spectrum by dimensionality : 2 NMR probe : 5 mm TBI 1H/13C-BB-D Z-GRD LTB Z5623/001 Temperature : 300 K magnetic field strength : 14.095010340939984 Tesla number of scans : 8 scans nuclear magnetic resonance pulse sequence : hmbcetgpl2nd Spectral Width : [4.00553478002516, 80.0295960789422] number of data points : 4 points relaxation time measurement : 3 seconds

Data-Source Molecule ID	Data-Source
ZINC000002038603	ZINC
1JE64OEH7Y	FDA SRS
1SNM7D2SFV	FDA SRS
DTXSID20364934	EPA CompTox Dashboard
J238.500G	Nikkaji
90200	Brenda
HMDB0035764	Human Metabolome Database
SCHEMBL5186165	SureChEMBL
1715097	PubChem
MCULE-9118405009	Mcule
16946849	PubChem: Thomson Pharma
The data in this table is sourced from UniChem at EBI.