Dataset

TRANS ANETHOL.hmbc

Chemical Info

InChI	InChI=1S/C10H12O/c1-3-4-9-5-7-10(11-2)8-6-9/h3-8H,1-2H3/b4-3+
SMILES	C/C=C/C1=CC=C(OC)C=C1
InChI Key	RUVINXPYWBROJD-ONEGZZNKSA-N
Molecular Formula	C10H12O
Exact Mass	148.200 g/mol

Data and Resources

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Metadata Information

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Field	Value
DOI	10.57992/nmrxiv.p42.s250.d1447
License URL	https://creativecommons.org/licenses/by/4.0/legalcode
Source	https://nmrxiv.org/D1447
Version
Author	Peter Spiteller
Maintainer
Language	english
MetadataCreated	2024-04-22T16:16:25.533263
MetadataModified	2024-04-22T16:16:25.533268
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 BBO BB-1H-D Z-GRD Z8248/080 Temperature : 297.9 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 : hmbcetgpl2nd Spectral Width : 8.98092415503016 , 180.120918220313 number of data points : 3 points relaxation time measurement : 1 seconds