Dataset

13C nuclear magnetic resonance spectroscopy (13C NMR)

Chemical Info

InChI	InChI=1S/C15H29BrO2/c1-3-4-5-6-7-8-9-10-11-12-13-18-15(17)14(2)16/h14H,3-13H2,1-2H3
SMILES	CCCCCCCCCCCCOC(=O)C(Br)C
InChI Key	RXTSHIDRCASANN-UHFFFAOYSA-N
Molecular Formula	C15H29BrO2
Exact Mass	321.294 g/mol

Data and Resources

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Metadata Information

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• Molecule Data-Sources

Field	Value
DOI	10.14272/RXTSHIDRCASANN-UHFFFAOYSA-N/NMR/13C/CDCl3/100.1
License URL
Source	https://www.chemotion-repository.net/inchikey/RXTSHIDRCASANN-UHFFFAOYSA-N/NMR/13C/CDCl3/100.1
Version
Author	Sylvia Vanderheiden-Schroen
Maintainer	Chemotion Repository
Language	english
MetadataCreated	2024-09-06T21:22:52.367677
MetadataModified	2024-09-07T13:49:53.723475
MetadataPublished	2014-08-27

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

Data-Source Molecule ID	Data-Source
527508	PubChem
SCHEMBL15796074	SureChEMBL
DTXSID30335817	EPA CompTox Dashboard
CB2511625	ChemicalBook
J38.898J	Nikkaji
The data in this table is sourced from UniChem at EBI.