Dataset

13C nuclear magnetic resonance spectroscopy (13C NMR)

Chemical Info

InChI	InChI=1S/C25H30Cl3NO9/c1-4-12-35-23-20(29-24(33)25(26,27)28)22(38-19(32)11-10-15(2)30)21(36-16(3)31)18(37-23)14-34-13-17-8-6-5-7-9-17/h4-9,18,20-23H,1,10-14H2,2-3H3,(H,29,33)/t18-,20-,21-,22-,23-/m1/s1
SMILES	C=CCO[C@@H]1O[C@H](COCc2ccccc2)[C@H]([C@@H]([C@H]1NC(=O)C(Cl)(Cl)Cl)OC(=O)CCC(=O)C)OC(=O)C
InChI Key	SJXPPFSITHCICG-OKKOYFSCSA-N
Molecular Formula	C25H30Cl3NO9
Exact Mass	594.866 g/mol

Data and Resources

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Metadata Information

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• Molecule Data-Sources

Field	Value
DOI	10.14272/SJXPPFSITHCICG-OKKOYFSCSA-N/NMR/13C/CDCl3/100
License URL
Source	https://www.chemotion-repository.net/inchikey/SJXPPFSITHCICG-OKKOYFSCSA-N/NMR/13C/CDCl3/100
Version
Author	Benjamin Goerling
Maintainer	Chemotion Repository
Language	english
MetadataCreated	2024-09-06T22:51:46.119919
MetadataModified	2024-09-07T12:11:15.187002
MetadataPublished	2014-05-27

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

Data-Source Molecule ID	Data-Source
73427297	PubChem
The data in this table is sourced from UniChem at EBI.