Dataset

13C nuclear magnetic resonance spectroscopy (13C NMR)

Chemical Information

InChI	InChI=1S/C18H18O/c1-18-15-9-5-4-8-13(15)12-6-2-3-7-14(12)16(18)10-11-17(18)19/h2-9,16-17,19H,10-11H2,1H3/t16-,17-,18-/m1/s1
SMILES	O[C@@H]1CC[C@H]2[C@@]1(C)c1ccccc1-c1c2cccc1
InChI Key	YPZZKCAAAHBQKY-KZNAEPCWSA-N
Exact Mass	250.335 g/mol

Data and Resources

• 13C nuclear magnetic resonance spectroscopy (13C NMR)HTML
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• 13c-nuclear-magneti...

Metadata Information

• Additional
• Measurement
• Molecule Data-Sources

Field	Value
DOI	10.14272/YPZZKCAAAHBQKY-KZNAEPCWSA-N/CHMO0000595
License URL
Source	https://www.chemotion-repository.net/inchikey/YPZZKCAAAHBQKY-KZNAEPCWSA-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

Data-Source Molecule ID	Data-Source
177693404	pubchem
The data in this table is sourced from UniChem at EBI.