13C nuclear magnetic resonance spectroscopy (13C NMR)

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The Chemotion Repository contains various analytical data of molecules like NMR, MS, IR or UV Spectra. Chemotion (as of May 2022) contains 9719 analytical datasets (3930 NMR,...

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Dataset

13C nuclear magnetic resonance spectroscopy (13C NMR)

dataset for 13C nuclear magnetic resonance spectroscopy (13C NMR)\n\n

Chemical Info

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InChI	InChI=1S/C7H7ClN2O2/c1-4-2-5(8)7(9)6(3-4)10(11)12/h2-3H,9H2,1H3
SMILES	Cc1cc(Cl)c(c(c1)[N+](=O)[O-])N
InChI Key	UGXUJYWOKLTNET-UHFFFAOYSA-N
Exact Mass	186.596 g/mol

Data and Resources

13C nuclear magnetic resonance spectroscopy (13C NMR)HTML
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Metadata Information

Field	Value
DOI	10.14272/UGXUJYWOKLTNET-UHFFFAOYSA-N/CHMO0000595
License URL
Source	https://www.chemotion-repository.net/inchikey/UGXUJYWOKLTNET-UHFFFAOYSA-N/CHMO0000595
Version
Author	Simone Gräßle
Maintainer	Chemotion Repository
Language	english
MetadataCreated	2024-09-08T02:12:07.623786
MetadataModified	2024-09-23T09:20:33.690026
MetadataPublished	2023-12-19

Field	Value
Measurement Technique	13C nuclear magnetic resonance spectroscopy
Measurement Variables	Temperature : 300.0 K K Puls programme : zgpg30 Number of scans : 1024 Title : CCP-3689 Date : 20231214 Start time : 23.06 h Instrument : spect Label : CCP-3519 ID : 287662 Solvent : DMSO Temperature : 300.0 K K Puls programme : zgpg30 Number of scans : 1024 Title : CCP-3689 Date : 20231214 Start time : 15.13 h Instrument : spect Label : CCP-3519 ID : 287662 Solvent : chloroform-D1 (CDCl3)