Dataset

3d[3d_HNMR.dx]

Chemical Information

InChI	InChI=1S/C48H57N4O7P/c1-35(2)52(36(3)4)60(58-31-10-27-49)59-32-12-29-51-47(54)40-18-16-37-33-39(17-15-38(37)34-40)46(53)50-28-11-30-57-48(41-13-8-7-9-14-41,42-19-23-44(55-5)24-20-42)43-21-25-45(56-6)26-22-43/h7-9,13-26,33-36H,10-12,28-32H2,1-6H3,(H,50,53)(H,51,54)
SMILES	COC1=CC=C(C(OCCCNC(=O)C2=CC3=CC=C(C(=O)NCCCOP(OCCC#N)N(C(C)C)C(C)C)C=C3C=C2)(C2=CC=CC=C2)C2=CC=C(OC)C=C2)C=C1
InChI Key	HWWKSSQGWOKVPB-UHFFFAOYSA-N

Data and Resources

• 3d[3d_HNMR.dx]HTML
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Metadata Information

• Additional
• Measurement
• Molecule Data-Sources

Field	Value
DOI	10.57992/nmrxiv.p134.s1375.d6045
License URL	https://cdla.dev/permissive-1-0/
Source	https://nmrxiv.org/D6045
Version
Author
Maintainer
Language	english
MetadataPublished	2025-12-23T05:47:00.000000Z
Related Molecule

Field	Value
Measurement Technique	1H nuclear magnetic resonance spectroscopy
Measurement Variables	NMR solvent : CDCl3 acquisition nucleus : ['1H'] NMR spectrum by dimensionality : 1 NMR probe : 5 mm PABBI 1H/19F/D-BB Z-GRD Z820201/0119 Temperature : 297.16 K magnetic field strength : 9.397691291560301 Tesla number of scans : 23 scans nuclear magnetic resonance pulse sequence : zg30 Spectral Width : 20.025413995256 number of data points : 65536 points relaxation time measurement : 1 seconds

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