Dataset

patchouli alcohol[5]

This dataset contains NMR spectra obtained for the sample containing patchouli alcohol

Chemical Information

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-/m1/s1
SMILES	C[C@H]1CC[C@]2(O)C(C)(C)[C@H]3CC[C@]2(C)[C@H]1C3
InChI Key	GGHMUJBZYLPWFD-MYYUVRNCSA-N
Exact Mass	222.370 g/mol

Data and Resources

patchouli alcohol[5]HTML

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Metadata Information

Field	Value
DOI	10.57992/nmrxiv.p42.s1315.d5783
License URL	https://creativecommons.org/licenses/by/4.0/legalcode
Source	https://nmrxiv.org/D5783
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
12314003	pubchem
The data in this table is sourced from UniChem at EBI.