Dataset

1H nuclear magnetic resonance spectroscopy (1H NMR)

dataset for 1H nuclear magnetic resonance spectroscopy (1H NMR)\n\n

Chemical Info

molecular Image
InChI InChI=1S/C17H18O/c1-18-17-12-15-7-6-13-2-4-14(5-3-13)8-10-16(17)11-9-15/h2-5,9,11-12H,6-8,10H2,1H3
SMILES COc1cc2CCc3ccc(CCc1cc2)cc3
InChI Key IDNTUPRFFUTOCA-UHFFFAOYSA-N
Molecular Formula C17H18O
Exact Mass 238.324 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/IDNTUPRFFUTOCA-UHFFFAOYSA-N/NMR/1H/CDCl3/400
License URL
Source https://www.chemotion-repository.net/inchikey/IDNTUPRFFUTOCA-UHFFFAOYSA-N/NMR/1H/CDCl3/400
Version
Author Carolin Braun
Maintainer Chemotion Repository
Language english
MetadataCreated 2024-09-06T23:38:39.832758
MetadataModified 2024-09-07T12:54:17.993732
MetadataPublished 2014-05-27
Field Value
Measurement Technique 1H nuclear magnetic resonance spectroscopy
Measurement Variables
Data-Source Molecule ID Data-Source
4608654 PubChem
J1.418.080J Nikkaji
ZINC000003136874 ZINC
MCULE-5883543611 Mcule
16583074 PubChem: Thomson Pharma
11591214 eMolecules
SCHEMBL12390316 SureChEMBL
The data in this table is sourced from UniChem at EBI.