Dataset

sample.hmbc

Chemical Info

InChI	InChI=1S/C18H21NO5/c1-18(2,3)24-17(20)19-8-11-6-15-16(23-10-22-15)7-13(11)12-4-5-21-9-14(12)19/h4,6-7,14H,5,8-10H2,1-3H3/t14-/m1/s1
SMILES	CC(C)(C)OC(=O)N1CC2=C(C=C3OCOC3=C2)C2=CCOC[C@H]21
InChI Key	OYMHZDJEHYRCLB-CQSZACIVSA-N

Data and Resources

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Metadata Information

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• Measurement
• Molecule Data-Sources

Field	Value
DOI	10.57992/nmrxiv.p49.s269.d1578
License URL	https://creativecommons.org/licenses/by/4.0/legalcode
Source	https://nmrxiv.org/D1578
Version
Author
Maintainer
Language	english
MetadataCreated	2024-04-22T15:32:53.735363
MetadataModified	2024-09-23T09:27:57.656522
MetadataPublished	2023-12-26 21:53:45
Related Molecule

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 PABBO BB-1H/D Z-GRD Z104275/0260 Temperature : 295.9704 K magnetic field strength : 7.049031799154046 Tesla number of scans : 4 scans nuclear magnetic resonance pulse sequence : hmbcgplpndqf Spectral Width : [12.9880529772817, 240.022390154251] number of data points : 3 points relaxation time measurement : 1.5 seconds

Data-Source Molecule ID	Data-Source
No additional information available for this Dataset.