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/C18H18O/c1-3-14-4-2-13(1)5-6-15-8-10-16(9-7-14)17(11-15)18-12-19-18/h1-4,8,10-11,18H,5-7,9,12H2
SMILES c1cc2CCc3ccc(CCc1cc2)c(c3)C1OC1
InChI Key QHARUYCUDOUFLM-UHFFFAOYSA-N
Molecular Formula C18H18O
Exact Mass 250.335 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/QHARUYCUDOUFLM-UHFFFAOYSA-N/CHMO0000593
License URL
Source https://www.chemotion-repository.net/inchikey/QHARUYCUDOUFLM-UHFFFAOYSA-N/CHMO0000593
Version
Author Patrick Kern
Maintainer Chemotion Repository
Language english
MetadataCreated 2024-09-08T03:49:50.257343
MetadataModified 2024-09-23T09:25:11.177746
MetadataPublished 2024-06-05
Field Value
Measurement Technique 1H nuclear magnetic resonance spectroscopy
Measurement Variables
title : zip

Data-Source Molecule ID Data-Source
J2.359.023I Nikkaji
101405827 PubChem
The data in this table is sourced from UniChem at EBI.