Dataset

1q (E)[1H NMR]

This dataset contains NMR spectra obtained for the sample -1q (E) Nucleus: 13C NMR Solvent: CDCl3 NMR Probe: Z108618_0305 (PA BBO 400S1 BBF-H-D-05 Z PLUS) NMR Pulse Sequence: 1d Temperature: 299.9999 Observed Frequency: 100.63037 Magnetic Field Strength: 9.397903774194397 Number of Scans: 1024 NMR Pulse Sequence: zgpg30 Spectral Width: 238.854909537538 Number of Data Points: 65536 Relaxation Delay: 2 Observed Frequency: 100.640433077 Nucleus: 1H NMR Solvent: CDCl3 NMR Probe: Z108618_0305 (PA BBO 400S1 BBF-H-D-05 Z PLUS) NMR Pulse Sequence: 1d Temperature: 299.9991 Observed Frequency: 400.2 Magnetic Field Strength: 9.399335353216285 Number of Scans: 16 NMR Pulse Sequence: zg30 Spectral Width: 20.5488091609784 Number of Data Points: 65536 Relaxation Delay: 1 Observed Frequency: 400.202471398822

Chemical Information

molecular Image
InChI InChI=1S/C34H33Br2NOSi/c1-39(2,3)21-20-38-24-37-33-18-12-27(6-4-25-8-14-29(35)15-9-25)22-31(33)32-23-28(13-19-34(32)37)7-5-26-10-16-30(36)17-11-26/h4-19,22-23H,20-21,24H2,1-3H3/b6-4+,7-5+
SMILES C[Si](C)(C)CCOCN1C2=C(C=C(/C=C/C3=CC=C(Br)C=C3)C=C2)C2=C1C=CC(/C=C/C1=CC=C(Br)C=C1)=C2
InChI Key FEUXBNCSJYFRFN-YDFGWWAZSA-N

Data and Resources

Metadata Information

Field Value
DOI 10.57992/nmrxiv.p146.s1431.d6318
License URL
Source https://nmrxiv.org/D6318
Version
Author Katherine Lyon, Chenyu Pan, Shainthavaan Sathiyalingam, Yang Wu, Jochen R. Brandt
Maintainer
Language english
MetadataPublished 2026-03-26T10:57:31.000000Z
Related Molecule
  • nfdi4chem-mol4068 (Unknown Molecule)
    • Field Value
    Measurement Technique 1H nuclear magnetic resonance spectroscopy
    Measurement Variables
    NMR solvent : CDCl3

    acquisition nucleus : ['1H']

    NMR spectrum by dimensionality : 1

    NMR probe : Z108618_0305 (PA BBO 400S1 BBF-H-D-05 Z PLUS)

    Temperature : 299.9991 K

    magnetic field strength : 9.399335353216285 Tesla

    number of scans : 16 scans

    nuclear magnetic resonance pulse sequence : zg30

    Spectral Width : 20.5488091609784

    number of data points : 65536 points

    relaxation time measurement : 1 seconds

    Data-Source Molecule ID Data-Source
    No additional information available for this Dataset.