Dataset

1H nuclear magnetic resonance spectroscopy (1H NMR)

Chemical Info

InChI	InChI=1S/C7H12O4/c1-7(2,3-5(8)9)4-6(10)11/h3-4H2,1-2H3,(H,8,9)(H,10,11)
SMILES	OC(=O)CC(CC(=O)O)(C)C
InChI Key	DUHQIGLHYXLKAE-UHFFFAOYSA-N
Molecular Formula	C7H12O4
Exact Mass	160.168 g/mol

Data and Resources

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Metadata Information

• Additional
• Measurement

Field	Value
DOI	10.14272/DUHQIGLHYXLKAE-UHFFFAOYSA-N/CHMO0000593
License URL
Source	https://www.chemotion-repository.net/inchikey/DUHQIGLHYXLKAE-UHFFFAOYSA-N/CHMO0000593
Version
Author	Grace Hunt
Maintainer	Chemotion Repository
Language	english
MetadataCreated	2024-09-08T04:28:32.845633
MetadataModified	2024-09-08T04:28:32.845638
MetadataPublished	2024-08-09

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