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/c18-12-17-11-15-6-5-13-1-3-14(4-2-13)7-9-16(17)10-8-15/h1-4,8,10-11,18H,5-7,9,12H2
SMILES OCc1cc2CCc3ccc(CCc1cc2)cc3
InChI Key DBZFLKMLGVAMTF-UHFFFAOYSA-N
Molecular Formula C17H18O
Exact Mass 238.324 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/DBZFLKMLGVAMTF-UHFFFAOYSA-N/CHMO0000593
License URL
Source https://www.chemotion-repository.net/inchikey/DBZFLKMLGVAMTF-UHFFFAOYSA-N/CHMO0000593
Version
Author Christoph Zippel
Maintainer Chemotion Repository
Language english
MetadataCreated 2024-09-07T04:42:24.883266
MetadataModified 2024-09-07T19:58:48.561925
MetadataPublished 2021-06-26
Related Molecule
Field Value
Measurement Technique 1H nuclear magnetic resonance spectroscopy
Measurement Variables
Data-Source Molecule ID Data-Source
4419244 PubChem
J811.303C Nikkaji
SCHEMBL17057612 SureChEMBL
13175661 eMolecules
15997736 PubChem: Thomson Pharma
MCULE-5249992669 Mcule
ZINC000003122320 ZINC
J3.585.246H Nikkaji
The data in this table is sourced from UniChem at EBI.