Dataset

Myrcene 60/400/900 MHz in CDCl3 NMR data.2d

NMR data for myrcene contains: 1H NMR acquired at 60 MHz, as well as 1D: 1H,13C 2D: COSY, HSQC and HMBC acquired 400 MHz (Jeol 400 MHz spectrometer with SuperCOOL Probe), as well as 1D: 1H 2D: COSY acquired 900 MHz (Bruker AVANCE NMR, 5mm TCI cryogenic probe) in CDCl3 (2019-10-07)

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

Chemical Info

InChI	InChI=1S/C10H16/c1-5-10(4)8-6-7-9(2)3/h5,7H,1,4,6,8H2,2-3H3
SMILES	C=CC(=C)CCC=C(C)C
InChI Key	UAHWPYUMFXYFJY-UHFFFAOYSA-N
Molecular Formula	C10H16
Exact Mass	136.230 g/mol

Data and Resources

Myrcene 60/400/900 MHz in CDCl3 NMR data.2dHTML
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Metadata Information

Field	Value
DOI	10.57992/nmrxiv.p33.s217.d1192
License URL	https://creativecommons.org/publicdomain/zero/1.0/legalcode
Source	https://nmrxiv.org/D1192
Version
Author	Bisson J, McAlpine JB, Friesen JB, Chen SN, Graham J, Pauli GF.
Maintainer
Language	english
MetadataCreated	2024-04-22T17:03:25.654156
MetadataModified	2024-04-22T17:03:25.654161
MetadataPublished	2023-12-21 14:26:13

Field	Value
Measurement Technique	2
Measurement Variables	acquisition nucleus : 1H , 1H Temperature : 305.15 K irradiation frequency : 399.79256015247455 MHz , 399.79256015247455 MHz magnetic field strength : 9.389766 Tesla number of scans : 2 scans Spectral Width : 18.790279460272032 , 15.001571319128061 number of data points : 2560 points relaxation time measurement : 4 seconds