Dataset

1H nuclear magnetic resonance spectroscopy (1H NMR)

Chemical Info

InChI	InChI=1S/C15H18O3/c1-6-11-7-12-10(4)13(17-5)8(2)9(3)14(12)18-15(11)16/h7H,6H2,1-5H3
SMILES	CCc1cc2c(C)c(OC)c(c(c2oc1=O)C)C
InChI Key	QROGAFPZULQEKR-UHFFFAOYSA-N
Molecular Formula	C15H18O3
Exact Mass	246.302 g/mol

Data and Resources

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Metadata Information

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• Measurement
• Molecule Data-Sources

Field	Value
DOI	10.14272/QROGAFPZULQEKR-UHFFFAOYSA-N/CHMO0000593
License URL
Source	https://www.chemotion-repository.net/inchikey/QROGAFPZULQEKR-UHFFFAOYSA-N/CHMO0000593
Version
Author	Florian Mohr
Maintainer	Chemotion Repository
Language	english
MetadataCreated	2024-09-07T04:15:06.602856
MetadataModified	2024-09-07T19:23:47.532352
MetadataPublished	2021-03-01
Related Molecule

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

Data-Source Molecule ID	Data-Source
138453678	PubChem
The data in this table is sourced from UniChem at EBI.