Dataset

1H nuclear magnetic resonance spectroscopy (1H NMR)

Chemical Info

InChI	InChI=1S/C31H39BrNO9.BrH/c1-34-28-3-2-23-18-27-25-20-30-29(41-22-42-30)19-24(25)4-6-33(27)21-26(23)31(28)40-17-16-39-15-14-38-13-12-37-11-10-36-9-8-35-7-5-32;/h2-3,18-21H,4-17,22H2,1H3;1H/q+1;/p-1
SMILES	BrCCOCCOCCOCCOCCOCCOc1c(OC)ccc2c1c[n+]1CCc3c(-c1c2)cc1c(c3)OCO1.[Br-]
InChI Key	ZGCIPCWPNLEHCL-UHFFFAOYSA-M
Molecular Formula	C31H39Br2NO9
Exact Mass	729.451 g/mol

Data and Resources

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Metadata Information

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• Measurement
• Molecule Data-Sources

Field	Value
DOI	10.14272/ZGCIPCWPNLEHCL-UHFFFAOYSA-M/CHMO0000593
License URL
Source	https://www.chemotion-repository.net/inchikey/ZGCIPCWPNLEHCL-UHFFFAOYSA-M/CHMO0000593
Version
Author	Changming Hu
Maintainer	Chemotion Repository
Language	english
MetadataCreated	2024-09-07T03:54:19.565923
MetadataModified	2024-09-07T18:56:52.276947
MetadataPublished	2020-10-23
Related Molecule

Field	Value
Measurement Technique	1H nuclear magnetic resonance spectroscopy
Measurement Variables

Data-Source Molecule ID	Data-Source
154723619	PubChem
The data in this table is sourced from UniChem at EBI.