Dataset

Capsaicin 400 MHz DMSOd6 NMR data.1d

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

Capsaicin 400 MHz DMSOd6 NMR data.1dHTML
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Metadata Information

Field	Value
DOI	10.57992/nmrxiv.p33.s201.d986
License URL	https://creativecommons.org/publicdomain/zero/1.0/legalcode
Source	https://nmrxiv.org/D986
Version
Author	Bisson J, McAlpine JB, Friesen JB, Chen SN, Graham J, Pauli GF.
Maintainer
Language	english
MetadataCreated	2024-04-22T16:55:59.817757
MetadataModified	2024-05-15T09:41:55.734630
MetadataPublished	2023-12-21 14:26:13

Field	Value
Measurement Technique	13C nuclear magnetic resonance spectroscopy
Measurement Variables	NMR solvent : DMSO-D6 acquisition nucleus : 13C NMR spectrum by dimensionality : 1 NMR probe : 2774 Temperature : 298.15 K magnetic field strength : 9.389766 Tesla number of scans : 4096 scans nuclear magnetic resonance pulse sequence : carbon.jxp Spectral Width : 314.0070760448474 number of data points : 32768 points relaxation time measurement : 2 seconds