Dataset

13C nuclear magnetic resonance spectroscopy (13C NMR)

Chemical Info

InChI	InChI=1S/C30H27F2N3O2/c1-2-37-30(36)29-13-18(24-16-33-26-14-19(31)8-10-22(24)26)12-28(35(29)21-6-4-3-5-7-21)25-17-34-27-15-20(32)9-11-23(25)27/h3-11,14-18,28-29,33-34H,2,12-13H2,1H3/t18-,28-,29-/m0/s1
SMILES	CCOC(=O)[C@@H]1C[C@H](C[C@H](N1c1ccccc1)c1c[nH]c2c1ccc(c2)F)c1c[nH]c2c1ccc(c2)F
InChI Key	MIMMUKGDVPAQTM-AFMHLJNQSA-N
Molecular Formula	C30H27F2N3O2
Exact Mass	499.551 g/mol

Data and Resources

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Metadata Information

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• Molecule Data-Sources

Field	Value
DOI	10.14272/MIMMUKGDVPAQTM-AFMHLJNQSA-N/NMR/13C/acetone/100
License URL
Source	https://www.chemotion-repository.net/inchikey/MIMMUKGDVPAQTM-AFMHLJNQSA-N/NMR/13C/acetone/100
Version
Author	Sabilla Zhong
Maintainer	Chemotion Repository
Language	english
MetadataCreated	2024-09-06T23:48:24.205739
MetadataModified	2024-09-07T13:08:45.031639
MetadataPublished	2014-05-27

Field	Value
Measurement Technique	13C nuclear magnetic resonance spectroscopy
Measurement Variables

Data-Source Molecule ID	Data-Source
73427464	PubChem
The data in this table is sourced from UniChem at EBI.