Dataset

Pulegone.proton

Chemical Information

molecular Image
InChI InChI=1S/C10H16O/c1-7(2)9-5-4-8(3)6-10(9)11/h8H,4-6H2,1-3H3/t8-/m1/s1
SMILES CC(C)=C1CC[C@@H](C)CC1=O
InChI Key NZGWDASTMWDZIW-MRVPVSSYSA-N
Molecular Formula C10H16O
Exact Mass 152.230 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.57992/nmrxiv.p32.s185.d795
License URL https://creativecommons.org/licenses/by/4.0/legalcode
Source https://nmrxiv.org/D795
Version
Author Agneta Prasse, Viola Munzert, Elena José, Klaus-Peter Zeller, Hans-Ullrich Siehl, Stefan Berger, Prof. Dr. D. Sicker
Maintainer
Language english
MetadataPublished 2023-12-21 14:22:31
Related Molecule
  • (5R)-5-methyl-2-propan-2-ylidenecyclohexan-1-one
    • Field Value
    Measurement Technique 1H nuclear magnetic resonance spectroscopy
    Measurement Variables
    NMR solvent : CDCl3

    acquisition nucleus : ['1H']

    NMR spectrum by dimensionality : 1

    NMR probe : 5 mm TBI 1H-BB-D Z-GRD Z5627/001

    Temperature : 298 K

    magnetic field strength : 9.3935106991479 Tesla

    number of scans : 8 scans

    nuclear magnetic resonance pulse sequence : zg

    Spectral Width : 8.98092774738581

    number of data points : 24 points

    relaxation time measurement : 1 seconds

    Data-Source Molecule ID Data-Source
    CHEBI:35596 chebi
    LMPR0102090025 lipidmaps
    CHEMBL2924219 chembl
    38305 surechembl
    442495 pubchem
    4LF2673R3G fdasrs
    PD085564 probes_and_drugs
    144314 brenda
    190521 brenda
    8370 brenda
    8701 brenda
    HMDB0035604 hmdb
    Molport-001-793-332 molport
    The data in this table is sourced from UniChem at EBI.