Dataset

Capsaicin 400 MHz DMSOd6 NMR data.cosy

NMR data for Capsaicin Contains: 1D: 1H, 13C 2D: COSY, HSQC, HMBC in raw JEOL format and jdx.files, assigned and annotated 1H and 13C spectra, as well as Spin parameters for 1H and chemical shifts of carbon. (2018-03-26)

https://doi.org/10.7910/DVN/F34GVS, Harvard Dataverse, V2

Chemical Info

molecular Image
InChI InChI=1S/C18H27NO3/c1-14(2)8-6-4-5-7-9-18(21)19-13-15-10-11-16(20)17(12-15)22-3/h6,8,10-12,14,20H,4-5,7,9,13H2,1-3H3,(H,19,21)/b8-6+
SMILES COC1=CC(CNC(=O)CCCC/C=C/C(C)C)=CC=C1O
InChI Key YKPUWZUDDOIDPM-SOFGYWHQSA-N
Molecular Formula C18H27NO3
Exact Mass 305.400 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.57992/nmrxiv.p33.s201.d984
License URL https://creativecommons.org/publicdomain/zero/1.0/legalcode
Source https://nmrxiv.org/D984
Version
Author Bisson J, McAlpine JB, Friesen JB, Chen SN, Graham J, Pauli GF.
Maintainer
Language english
MetadataCreated 2024-04-22T16:55:57.207972
MetadataModified 2024-05-15T09:41:50.324290
MetadataPublished 2023-12-21 14:26:13
Field Value
Measurement Technique correlation spectroscopy
Measurement Variables
NMR solvent : DMSO-D6

acquisition nucleus : 1H , 1H

NMR spectrum by dimensionality : 2

NMR probe :

Temperature : K

magnetic field strength : Tesla

number of scans : scans

nuclear magnetic resonance pulse sequence : cosy_pfg.jxp

Spectral Width :

number of data points : points

relaxation time measurement : seconds