Dataset

patchouli alcohol.noesy

Chemical Info

molecular Image
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

Metadata Information

Field Value
DOI 10.57992/nmrxiv.p42.s247.d1434
License URL https://creativecommons.org/licenses/by/4.0/legalcode
Source https://nmrxiv.org/D1434
Version
Author Peter Spiteller
Maintainer
Language english
MetadataCreated 2024-04-22T16:21:59.770665
MetadataModified 2024-09-23T09:33:21.024946
MetadataPublished 2023-12-24 21:57:47
Field Value
Measurement Technique n
Measurement Variables
NMR solvent : CDCl3

acquisition nucleus : ['1H', '1H']

NMR spectrum by dimensionality : 2

NMR probe : 5 mm CPTCI 1H-13C/15N/2H Z-GRD Z44908/0006

Temperature : 298 K

magnetic field strength : 16.44413958677142 Tesla

number of scans : 16 scans

nuclear magnetic resonance pulse sequence : noesygpph

Spectral Width : [2.50046171078916, 2.50002403151195]

number of data points : 5 points

relaxation time measurement : 2 seconds

Data-Source Molecule ID Data-Source
162957608 PubChem
The data in this table is sourced from UniChem at EBI.