Dataset

heteronuclear single quantum coherence (HSQC)

dataset for heteronuclear single quantum coherence (HSQC)

Chemical Information

molecular Image
InChI InChI=1S/C12H17ClO2/c1-8(2)10-6-12(15-7-14-4)9(3)5-11(10)13/h5-6,8H,7H2,1-4H3
SMILES COCOc1cc(C(C)C)c(cc1C)Cl
InChI Key LRPMRIMIWRGLKI-UHFFFAOYSA-N
Molecular Formula C12H17ClO2
Exact Mass 228.715 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/LRPMRIMIWRGLKI-UHFFFAOYSA-N/CHMO0000604
License URL
Source https://www.chemotion-repository.net/inchikey/LRPMRIMIWRGLKI-UHFFFAOYSA-N/CHMO0000604
Version
Author Simone Gräßle
Maintainer Chemotion Repository
Language english
MetadataPublished 2021-11-03
Related Molecule
  • 1-chloro-4-(methoxymethoxy)-5-methyl-2-propan-2-ylbenzene
    • Field Value
    Measurement Technique heteronuclear single quantum coherence
    Measurement Variables
    Data-Source Molecule ID Data-Source
    157010411 PubChem
    The data in this table is sourced from UniChem at EBI.