Dataset

patchouli alcohol.hmbc

Chemical Info

InChI	InChI=1S/C15H26O/c1-10-5-8-15(16)13(2,3)11-6-7-14(15,4)12(10)9-11/h10-12,16H,5-9H2,1-4H3/t10-,11-,12-,14+,15-/m0/s1
SMILES	C[C@H]1CC[C@]2(O)C(C)(C)[C@H]3CC[C@]2(C)[C@H]1C3
InChI Key	GGHMUJBZYLPWFD-JVSQWTDWSA-N
Molecular Formula	C15H26O
Exact Mass	222.370 g/mol

Data and Resources

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Metadata Information

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Field	Value
DOI	10.57992/nmrxiv.p42.s247.d1433
License URL	https://creativecommons.org/licenses/by/4.0/legalcode
Source	https://nmrxiv.org/D1433
Version
Author	Peter Spiteller
Maintainer
Language	english
MetadataCreated	2024-04-22T15:52:51.079851
MetadataModified	2024-04-22T15:52:51.079859
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 CPTCI 1H-13C/15N/2H Z-GRD Z44908/0006 Temperature : 298 K irradiation frequency : 700.15 MHz , 176.052858 MHz magnetic field strength : 16.44413958677142 Tesla number of scans : 16 scans nuclear magnetic resonance pulse sequence : hmbcgpl2ndqf Spectral Width : 2.50046171078917 , 85.028219773606 number of data points : 5 points relaxation time measurement : 2 seconds