Dataset

13C nuclear magnetic resonance spectroscopy (13C NMR)

Chemical Info

InChI	InChI=1S/C32H33N3O4/c1-4-39-32(36)31-15-20(26-18-33-28-12-10-22(37-2)16-24(26)28)14-30(35(31)21-8-6-5-7-9-21)27-19-34-29-13-11-23(38-3)17-25(27)29/h5-13,16-20,30-31,33-34H,4,14-15H2,1-3H3/t20-,30-,31-/m0/s1
SMILES	CCOC(=O)[C@@H]1C[C@H](C[C@H](N1c1ccccc1)c1c[nH]c2c1cc(OC)cc2)c1c[nH]c2c1cc(OC)cc2
InChI Key	HLSWSQCSQYJRLY-AWRYQFNLSA-N
Molecular Formula	C32H33N3O4
Exact Mass	523.622 g/mol

Data and Resources

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Metadata Information

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• Molecule Data-Sources

Field	Value
DOI	10.14272/HLSWSQCSQYJRLY-AWRYQFNLSA-N/NMR/13C/acetone/100
License URL
Source	https://www.chemotion-repository.net/inchikey/HLSWSQCSQYJRLY-AWRYQFNLSA-N/NMR/13C/acetone/100
Version
Author	Sabilla Zhong
Maintainer	Chemotion Repository
Language	english
MetadataCreated	2024-09-06T23:47:52.565034
MetadataModified	2024-09-07T13:07:58.233806
MetadataPublished	2014-05-27

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

Data-Source Molecule ID	Data-Source
73427462	PubChem
The data in this table is sourced from UniChem at EBI.