Dataset

-Thujone.hmbc

Chemical Info

molecular Image

InChI	InChI=1S/C10H16O/c1-6(2)10-4-8(10)7(3)9(11)5-10/h6-8H,4-5H2,1-3H3/t7-,8+,10-/m0/s1
SMILES	CC(C)[C@]12CC(=O)[C@@H](C)[C@H]1C2
InChI Key	USMNOWBWPHYOEA-XKSSXDPKSA-N
Molecular Formula	C10H16O
Exact Mass	152.230 g/mol

Data and Resources

-Thujone.hmbcHTML
Explore
- More information
- Go to resource

Metadata Information

Field	Value
DOI	10.57992/nmrxiv.p42.s258.d1501
License URL	https://creativecommons.org/licenses/by/4.0/legalcode
Source	https://nmrxiv.org/D1501
Version
Author	Peter Spiteller
Maintainer
Language	english
MetadataCreated	2024-04-22T16:10:26.774019
MetadataModified	2024-04-22T16:10:26.774025
MetadataPublished	2023-12-24 21:57:47

Field	Value
Measurement Technique	heteronuclear multiple bond coherence
Measurement Variables	NMR solvent : CDCl3 acquisition nucleus : 1H , 13C NMR spectrum by dimensionality : 2 NMR probe : 5 mm CPTCI 1H-13C/15N/2H Z-GRD Z44908/0006 Temperature : 300 K irradiation frequency : 700.15 MHz , 176.052858 MHz magnetic field strength : 16.44413958677142 Tesla number of scans : 2 scans nuclear magnetic resonance pulse sequence : hmbcgpl2ndqf Spectral Width : 3.43332541379168 , 239.639626096168 number of data points : 7 points relaxation time measurement : 2 seconds