Dataset

rosmarinic acid.aptjmod

Chemical Info

molecular Image
InChI InChI=1S/C18H16O8/c19-12-4-1-10(7-14(12)21)3-6-17(23)26-16(18(24)25)9-11-2-5-13(20)15(22)8-11/h1-8,16,19-22H,9H2,(H,24,25)/b6-3+/t16-/m1/s1
SMILES O=C(/C=C/C1=CC=C(O)C(O)=C1)O[C@H](CC1=CC=C(O)C(O)=C1)C(=O)O
InChI Key DOUMFZQKYFQNTF-WUTVXBCWSA-N
Molecular Formula C18H16O8
Exact Mass 360.300 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.57992/nmrxiv.p38.s230.d1324
License URL https://creativecommons.org/licenses/by/4.0/legalcode
Source https://nmrxiv.org/D1324
Version
Author Ying Ying Gao, Hans‐Ullrich Siehl, Heike Petzold, Dieter Sicker, Klaus‐Peter Zeller, Stefan Berger
Maintainer
Language english
MetadataCreated 2024-04-22T15:46:22.499162
MetadataModified 2024-09-23T09:29:22.338522
MetadataPublished 2023-12-21 16:00:27
Field Value
Measurement Technique a
Measurement Variables
NMR solvent : DMSO

acquisition nucleus : ['13C']

NMR spectrum by dimensionality : 1

NMR probe : 5 mm CPTCI 1H-13C/15N/2H Z-GRD Z44908/0006

Temperature : 298 K

magnetic field strength : 16.440636731038314 Tesla

number of scans : 1024 scans

nuclear magnetic resonance pulse sequence : aptsp.ber

Spectral Width : 220.135175684167

number of data points : 3 points

relaxation time measurement : 2 seconds