Dataset

13C nuclear magnetic resonance spectroscopy (13C NMR)

dataset for 13C nuclear magnetic resonance spectroscopy (13C NMR)

Chemical Information

molecular Image
InChI InChI=1S/C19H20O/c1-12-7-8-17-15(11-12)13-5-3-4-6-14(13)16-9-10-18(20)19(16,17)2/h3-8,11,16,18,20H,9-10H2,1-2H3/t16-,18-,19+/m1/s1
SMILES Cc1ccc2c(-c3ccccc3[C@@H]3[C@]2(C)[C@H](O)CC3)c1
InChI Key MPSIDYBVEVKCNH-QRQLOZEOSA-N
Exact Mass 264.362 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/MPSIDYBVEVKCNH-QRQLOZEOSA-N/CHMO0000595
License URL
Source https://www.chemotion-repository.net/inchikey/MPSIDYBVEVKCNH-QRQLOZEOSA-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
177693402 pubchem
The data in this table is sourced from UniChem at EBI.