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

molecular Image

InChI	InChI=1S/C11H12O4/c1-7-4-10(14-8(2)12)6-11(5-7)15-9(3)13/h4-6H,1-3H3
SMILES	CC(=O)Oc1cc(OC(=O)C)cc(c1)C
InChI Key	KDOYCAADBINREP-UHFFFAOYSA-N
Exact Mass	208.211 g/mol

Data and Resources

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

Field	Value
DOI	10.14272/KDOYCAADBINREP-UHFFFAOYSA-N/CHMO0000595
License URL
Source	https://www.chemotion-repository.net/inchikey/KDOYCAADBINREP-UHFFFAOYSA-N/CHMO0000595
Version
Author	Simone Gräßle
Maintainer	Chemotion Repository
Language	english
MetadataCreated	2024-09-08T02:15:46.506008
MetadataModified	2024-09-23T09:21:47.534410
MetadataPublished	2024-01-19

Field	Value
Measurement Technique	13C nuclear magnetic resonance spectroscopy
Measurement Variables	Temperature : 300.0 K K Puls programme : zgpg30 Number of scans : 512 Title : SG-V4016 (1-6) Date : 20231108 Start time : 8.25 h Instrument : spect Label : SG-3402 ID : 282257 Solvent : chloroform-D1 (CDCl3)