Dataset

1H nuclear magnetic resonance spectroscopy (1H NMR)

Chemical Info

InChI	InChI=1S/C12H14O2/c1-3-11(13)9-5-7-10(8-6-9)12(14)4-2/h3-8,11-14H,1-2H2
SMILES	C=CC(c1ccc(cc1)C(C=C)O)O
InChI Key	JAEQKXWWBUINDS-UHFFFAOYSA-N
Molecular Formula	C12H14O2
Exact Mass	190.238 g/mol

Data and Resources

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Metadata Information

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• Molecule Data-Sources

Field	Value
DOI	10.14272/JAEQKXWWBUINDS-UHFFFAOYSA-N/NMR/1H/CDCl3/400
License URL
Source	https://www.chemotion-repository.net/inchikey/JAEQKXWWBUINDS-UHFFFAOYSA-N/NMR/1H/CDCl3/400
Version
Author	Mathias Lang
Maintainer	Chemotion Repository
Language	english
MetadataCreated	2024-09-06T23:57:43.999657
MetadataModified	2024-09-07T13:22:43.763145
MetadataPublished	2014-05-27

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

Data-Source Molecule ID	Data-Source
73427488	PubChem
The data in this table is sourced from UniChem at EBI.