Dataset

1H nuclear magnetic resonance spectroscopy (1H NMR)

Chemical Info

InChI	InChI=1S/C12H17ClO2/c1-8(2)10-6-12(15-7-14-4)9(3)5-11(10)13/h5-6,8H,7H2,1-4H3
SMILES	COCOc1cc(C(C)C)c(cc1C)Cl
InChI Key	LRPMRIMIWRGLKI-UHFFFAOYSA-N
Molecular Formula	C12H17ClO2
Exact Mass	228.715 g/mol

Data and Resources

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Metadata Information

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• Measurement
• Molecule Data-Sources

Field	Value
DOI	10.14272/LRPMRIMIWRGLKI-UHFFFAOYSA-N/CHMO0000593
License URL
Source	https://www.chemotion-repository.net/inchikey/LRPMRIMIWRGLKI-UHFFFAOYSA-N/CHMO0000593
Version
Author	Simone Gräßle
Maintainer	Chemotion Repository
Language	english
MetadataCreated	2024-09-07T05:15:03.457245
MetadataModified	2024-09-07T20:41:03.755765
MetadataPublished	2021-11-03
Related Molecule

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

Data-Source Molecule ID	Data-Source
157010411	PubChem
The data in this table is sourced from UniChem at EBI.