Dataset

Pulegone.hsqc

Chemical Info

InChI	InChI=1S/C10H16O/c1-7(2)9-5-4-8(3)6-10(9)11/h8H,4-6H2,1-3H3/t8-/m1/s1
SMILES	CC(C)=C1CC[C@@H](C)CC1=O
InChI Key	NZGWDASTMWDZIW-MRVPVSSYSA-N
Molecular Formula	C10H16O
Exact Mass	152.230 g/mol

Data and Resources

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Metadata Information

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Field	Value
DOI	10.57992/nmrxiv.p32.s185.d799
License URL	https://creativecommons.org/licenses/by/4.0/legalcode
Source	https://nmrxiv.org/D799
Version
Author	Agneta Prasse, Viola Munzert, Elena José, Klaus-Peter Zeller, Hans-Ullrich Siehl, Stefan Berger, Prof. Dr. D. Sicker
Maintainer
Language	english
MetadataCreated	2024-04-22T15:55:17.944064
MetadataModified	2024-04-22T15:55:17.944069
MetadataPublished	2023-12-21 14:22:31

Field	Value
Measurement Technique	heteronuclear single quantum coherence
Measurement Variables	NMR solvent : CDCl3 acquisition nucleus : 1H , 13C NMR spectrum by dimensionality : 2 NMR probe : 5 mm TBI 1H-BB-D Z-GRD Z5627/001 Temperature : 298 K irradiation frequency : 399.952 MHz , 100.56801 MHz magnetic field strength : 9.3935106991479 Tesla number of scans : 2 scans nuclear magnetic resonance pulse sequence : hsqcedetgp Spectral Width : 2.99365006655793 , 60.0074318611782 number of data points : 2 points relaxation time measurement : 2 seconds