Dataset

1H--13C heteronuclear single quantum coherence (1H-13C HSQC)

dataset for 1H--13C heteronuclear single quantum coherence (1H-13C HSQC)

Chemical Information

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/CHMO0001146
License URL
Source https://www.chemotion-repository.net/inchikey/QHARUYCUDOUFLM-UHFFFAOYSA-N/CHMO0001146
Version
Author Patrick Kern
Maintainer Chemotion Repository
Language english
MetadataPublished 2024-06-05
Related Molecule
  • 2-(5-tricyclo[8.2.2.24,7]hexadeca-1(13),4,6,10(14),11,15-hexaenyl)oxirane
    • Field Value
    Measurement Technique 1H–13C heteronuclear single quantum coherence
    Measurement Variables
    title : Feb22-2022

    date : 20220222

    starting time : 22.34 h

    label : PAK-308

    id : 106088

    Solvent : chloroform-D1 (CDCl3)

    temperature : 298.0 K

    PULPROG : hsqcedetgpsisp2.3

    number of scans : 4 scans

    instrument : Avance NEO

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