Dataset

5_NMR_Methanol-d4-1.hmbc

Chemical Info

molecular Image
InChI InChI=1S/C20H20O7/c1-20(2,26)6-5-11-14(22)8-16(24)17-18(25)12(9-27-19(11)17)10-3-4-13(21)15(23)7-10/h3-4,7-9,21-24,26H,5-6H2,1-2H3
SMILES CC(C)(O)CCC1=C2OC=C(C3=CC=C(O)C(O)=C3)C(=O)C2=C(O)C=C1O
InChI Key QATXOFGLOAQGRT-UHFFFAOYSA-N
Molecular Formula C20H20O7
Exact Mass 372.400 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.57992/nmrxiv.p55.s287.d1679
License URL https://creativecommons.org/licenses/by/4.0/legalcode
Source https://nmrxiv.org/D1679
Version
Author Çiçek SS, Galarza Pérez M, Wenzel-Storjohann A, Bezerra RM, Segovia JFO, Girreser U, Kanzaki I, Tasdemir D.
Maintainer
Language english
MetadataCreated 2024-04-22T16:16:31.050244
MetadataModified 2024-09-23T09:32:45.980706
MetadataPublished 2024-01-16 10:27:41
Field Value
Measurement Technique heteronuclear multiple bond coherence
Measurement Variables
NMR solvent : MeOD

acquisition nucleus : ['1H', '13C']

NMR spectrum by dimensionality : 2

NMR probe : Z116098_0775 (PA BBO 400S1 BBF-H-D-05 Z SP)

Temperature : 294.9201 K

magnetic field strength : 9.40238863211055 Tesla

number of scans : 2 scans

nuclear magnetic resonance pulse sequence : hmbcetgpl3nd

Spectral Width : [8.67335982810018, 219.759680981781]

number of data points : 5 points

relaxation time measurement : 2 seconds