Dataset

13C nuclear magnetic resonance spectroscopy (13C NMR)

Chemical Information

InChI	InChI=1S/C20H20O3/c1-13-17(8-9-20(13)21)19-7-5-4-6-18(19)14-10-15(22-2)12-16(11-14)23-3/h4-7,10-12H,8-9H2,1-3H3
SMILES	COc1cc(OC)cc(c1)c1ccccc1C1=C(C)C(=O)CC1
InChI Key	CHHXXPGNSSAXDB-UHFFFAOYSA-N
Exact Mass	308.371 g/mol

Data and Resources

• 13C nuclear magnetic resonance spectroscopy (13C NMR)HTML
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Metadata Information

• Additional
• Measurement
• Molecule Data-Sources

Field	Value
DOI	10.14272/CHHXXPGNSSAXDB-UHFFFAOYSA-N/CHMO0000595
License URL
Source	https://www.chemotion-repository.net/inchikey/CHHXXPGNSSAXDB-UHFFFAOYSA-N/CHMO0000595
Version
Author	Thorsten Bach
Maintainer	Chemotion Repository
Language	english
MetadataPublished	2025-11-24
Related Molecule

Field	Value
Measurement Technique	13C nuclear magnetic resonance spectroscopy
Measurement Variables	Date : 2025-08-31 Start time : 21:32:05 UTC Creator : Dominik Grünwald Label : DGR-508 ID : 148513 Solvent : CDCl3 Temperature : 300.4928 K K Puls programme : zgpg30 Number of scans : 1024 Instrument : spect Name : Parameter file, TOPSPIN Version 3.2 Version : Parameter file, TOPSPIN Version 3.2

Data-Source Molecule ID	Data-Source
177693400	pubchem
The data in this table is sourced from UniChem at EBI.