Dataset

13C nuclear magnetic resonance spectroscopy (13C NMR)

Chemical Info

InChI	InChI=1S/C32H31Br2N3O2/c1-4-39-32(38)29-13-20(26-16-35-30-18(2)10-21(33)14-24(26)30)12-28(37(29)23-8-6-5-7-9-23)27-17-36-31-19(3)11-22(34)15-25(27)31/h5-11,14-17,20,28-29,35-36H,4,12-13H2,1-3H3/t20-,28-,29-/m0/s1
SMILES	CCOC(=O)[C@@H]1C[C@H](C[C@H](N1c1ccccc1)c1c[nH]c2c1cc(Br)cc2C)c1c[nH]c2c1cc(Br)cc2C
InChI Key	IHJRTSIVDQBACF-ADUSHDQVSA-N
Molecular Formula	C32H31Br2N3O2
Exact Mass	649.415 g/mol

Data and Resources

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Metadata Information

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Field	Value
DOI	10.14272/IHJRTSIVDQBACF-ADUSHDQVSA-N/NMR/13C/acetone/100
License URL
Source	https://www.chemotion-repository.net/inchikey/IHJRTSIVDQBACF-ADUSHDQVSA-N/NMR/13C/acetone/100
Version
Author	Sabilla Zhong
Maintainer	Chemotion Repository
Language	english
MetadataCreated	2024-09-06T23:48:04.614305
MetadataModified	2024-09-07T13:08:17.443258
MetadataPublished	2014-05-27

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

Data-Source Molecule ID	Data-Source
73427463	PubChem
The data in this table is sourced from UniChem at EBI.