Dataset

D-Limonene 400 MHz in DMSOd6 NMR data[Limonene_7020ug200uL_CDCl3_COSY_400MHz_JDX.jdx]

NMR data of D-limonene in DMSOd6. The dataset contains 1D 1H 13C as well as 2D COSY, HSQC, HMBC, all acquired at 400 MHz (Jeol 400 MHz spectrometer with SuperCOOL Probe) (2019-10-07)

https://doi.org/10.7910/DVN/2UEA9M, Harvard Dataverse, V1

Chemical Information

molecular Image
InChI InChI=1S/C10H16/c1-8(2)10-6-4-9(3)5-7-10/h4,10H,1,5-7H2,2-3H3
SMILES C=C(C)C1CC=C(C)CC1
InChI Key XMGQYMWWDOXHJM-UHFFFAOYSA-N
Molecular Formula C10H16
Exact Mass 136.230 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.57992/nmrxiv.p33.s200.d969
License URL https://creativecommons.org/publicdomain/zero/1.0/legalcode
Source https://nmrxiv.org/D969
Version
Author Bisson J, McAlpine JB, Friesen JB, Chen SN, Graham J, Pauli GF.
Maintainer
Language english
MetadataPublished 2023-12-21T14:26:13.000000Z
Related Molecule
  • 1-methyl-4-prop-1-en-2-ylcyclohexene
    • Field Value
    Measurement Technique correlation spectroscopy
    Measurement Variables
    NMR solvent : CHLOROFORM-D

    acquisition nucleus : ['1H', '1H']

    NMR spectrum by dimensionality : 2

    NMR probe :

    Temperature : K

    magnetic field strength : Tesla

    number of scans : scans

    nuclear magnetic resonance pulse sequence : cosy.jxp

    Spectral Width :

    number of data points : points

    relaxation time measurement : seconds

    Data-Source Molecule ID Data-Source
    DB19146 drugbank
    CHEBI:15384 chebi
    CHEMBL15799 chembl
    797520 surechembl
    8829 surechembl
    22311 pubchem
    9MC3I34447 fdasrs
    PD001977 probes_and_drugs
    AHEXES CCDC
    9366 brenda
    HMDB0032473 hmdb
    Molport-001-782-985 molport
    The data in this table is sourced from UniChem at EBI.