Dataset

1H nuclear magnetic resonance spectroscopy (1H NMR)

Chemical Information

InChI	InChI=1S/C22H24O/c1-21(2,3)14-9-10-17-15-7-5-6-8-16(15)18-11-12-20(23)22(18,4)19(17)13-14/h5-10,13,18H,11-12H2,1-4H3/t18-,22+/m1/s1
SMILES	O=C1CC[C@H]2[C@@]1(C)c1cc(ccc1-c1c2cccc1)C(C)(C)C
InChI Key	CDMRGGGIWIQINS-GCJKJVERSA-N
Exact Mass	304.425 g/mol

Data and Resources

• 1H nuclear magnetic resonance spectroscopy (1H NMR)HTML
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Metadata Information

• Additional
• Measurement
• Molecule Data-Sources

Field	Value
DOI	10.14272/CDMRGGGIWIQINS-GCJKJVERSA-N/CHMO0000593
License URL
Source	https://www.chemotion-repository.net/inchikey/CDMRGGGIWIQINS-GCJKJVERSA-N/CHMO0000593
Version
Author	Thorsten Bach
Maintainer	Chemotion Repository
Language	english
MetadataPublished	2025-11-24
Related Molecule

Field	Value
Measurement Technique	1H nuclear magnetic resonance spectroscopy
Measurement Variables	Date : 2025-09-07 Starting time : 18:43:20 UTC Creator : Dominik Grünwald label : DGR-451 id : 146537 Solvent used for referencing : CDCl3 temperature : 299.9986 K PULPROG : zg30 number of scans : 16 scans instrument : spect Name : Parameter file, TOPSPIN Version 3.2 Version : Parameter file, TOPSPIN Version 3.2

Data-Source Molecule ID	Data-Source
177693409	pubchem
The data in this table is sourced from UniChem at EBI.