Dataset

PEtOx 30k[proton]

30 kDa P(EtOx)

Chemical Information

molecular Image
InChI InChI=1S/C5H9NO/c1-2-5-6-3-4-7-5/h2-4H2,1H3
SMILES CCC1=NCCO1
InChI Key NYEZZYQZRQDLEH-UHFFFAOYSA-N
Exact Mass 99.130 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.57992/nmrxiv.p68.s510.d2598
License URL https://creativecommons.org/licenses/by-sa/4.0/legalcode
Source https://nmrxiv.org/D2598
Version
Author
Maintainer
Language english
MetadataPublished 2024-06-14T10:54:04.000000Z
Related Molecule
  • 2-ethyl-4,5-dihydro-1,3-oxazole
    • Field Value
    Measurement Technique 1H nuclear magnetic resonance spectroscopy
    Measurement Variables
    NMR solvent : D2O

    acquisition nucleus : ['1H']

    NMR spectrum by dimensionality : 1

    NMR probe : Z116098_0618 (PA BBO 400S1 BBF-H-D-05 Z SP)

    Temperature : 298.1636 K

    magnetic field strength : 9.398161044985478 Tesla

    number of scans : 16 scans

    nuclear magnetic resonance pulse sequence : zg30

    Spectral Width : 30.0366276301356

    number of data points : 9 points

    relaxation time measurement : 0.1 seconds

    Data-Source Molecule ID Data-Source
    25266 surechembl
    66412 pubchem
    B8CD92T4P5 fdasrs
    HMDB0245112 hmdb
    Molport-003-926-366 molport
    The data in this table is sourced from UniChem at EBI.