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/C16H21BO6/c1-15(2)16(3,4)23-17(22-15)10-7-8-11(13(18)20-5)12(9-10)14(19)21-6/h7-9H,1-6H3
SMILES COC(=O)c1cc(ccc1C(=O)OC)B1OC(C(O1)(C)C)(C)C
InChI Key RLDRAXBPIRSRSV-UHFFFAOYSA-N
Exact Mass 320.145 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/RLDRAXBPIRSRSV-UHFFFAOYSA-N/CHMO0001146
License URL
Source https://www.chemotion-repository.net/inchikey/RLDRAXBPIRSRSV-UHFFFAOYSA-N/CHMO0001146
Version
Author Stefan Bräse
Maintainer Chemotion Repository
Language english
MetadataPublished 2026-03-23
Related Molecule
  • dimethyl 4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzene-1,2-dicarboxylate
    • Field Value
    Measurement Technique 1H–13C heteronuclear single quantum coherence
    Measurement Variables
    date : 2025-06-30

    starting time : 22:16:58 UTC

    creator : Yuting Li

    label : YTL-1184

    id : 375650

    Solvent : CDCl3

    temperature : 298.0249 K

    PULPROG : hsqcedetgpsisp2.3

    number of scans : 4 scans

    instrument : Avance NEO

    Name : TopSpin

    Data-Source Molecule ID Data-Source
    25035049 surechembl
    99973125 pubchem
    DTXSID901334437 comptox
    Molport-035-874-525 molport
    The data in this table is sourced from UniChem at EBI.