Dataset

13C nuclear magnetic resonance spectroscopy (13C NMR)

Chemical Info

InChI	InChI=1S/C26H30BNO4/c1-25(2)26(3,4)32-27(31-25)19-7-9-20(10-8-19)28(21-11-15-23(29-5)16-12-21)22-13-17-24(30-6)18-14-22/h7-18H,1-6H3
SMILES	COc1ccc(cc1)N(c1ccc(cc1)OC)c1ccc(cc1)B1OC(C(O1)(C)C)(C)C
InChI Key	MARLZALFJNQDEJ-UHFFFAOYSA-N
Molecular Formula	C26H30BNO4
Exact Mass	431.332 g/mol

Data and Resources

• 13C nuclear magnetic resonance spectroscopy (13C NMR)HTML
  Explore

  • More information
  • Go to resource

• 13c-nuclear-magneti...

Metadata Information

• Additional
• Measurement
• Molecule Data-Sources

Field	Value
DOI	10.14272/MARLZALFJNQDEJ-UHFFFAOYSA-N/CHMO0000595.1
License URL
Source	https://www.chemotion-repository.net/inchikey/MARLZALFJNQDEJ-UHFFFAOYSA-N/CHMO0000595.1
Version
Author	Henrik Tappert
Maintainer	Chemotion Repository
Language	english
MetadataCreated	2025-02-25T11:59:27.253093
MetadataModified	2025-02-25T12:06:11.097029
MetadataPublished
Related Molecule

Field	Value
Measurement Technique	13C nuclear magnetic resonance spectroscopy
Measurement Variables	Temperature : 300.0 K K Puls programme : zgpg30 Number of scans : 1024 Title : May08-2024 Date : 20240509 Start time : 13.49 Instrument : spect Label : HT-89 ID : 117473 Solvent : chloroform-D1 (CDCl3)

Data-Source Molecule ID	Data-Source
71231237	PubChem
ZINC000208939815	ZINC
J2.970.009E	Nikkaji
SCHEMBL14646280	SureChEMBL
CB42596299	ChemicalBook
The data in this table is sourced from UniChem at EBI.