Dataset

1H nuclear magnetic resonance spectroscopy (1H NMR)

Chemical Info

InChI	InChI=1S/C17H14O5/c1-20-16(18)11-6-7-13-14(10-11)12-4-2-8-21-9-3-5-15(12)22-17(13)19/h6-7,10H,3,5,8-9H2,1H3
SMILES	COC(=O)c1ccc2c(c1)c1C#CCOCCCc1oc2=O
InChI Key	MTTHMHHBSGCPOH-UHFFFAOYSA-N
Molecular Formula	C17H14O5
Exact Mass	298.290 g/mol

Data and Resources

• 1H nuclear magnetic resonance spectroscopy (1H NMR)HTML
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Metadata Information

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• Measurement
• Molecule Data-Sources

Field	Value
DOI	10.14272/MTTHMHHBSGCPOH-UHFFFAOYSA-N/CHMO0000593
License URL
Source	https://www.chemotion-repository.net/inchikey/MTTHMHHBSGCPOH-UHFFFAOYSA-N/CHMO0000593
Version
Author	Natalia Danilkina
Maintainer	Chemotion Repository
Language	english
MetadataCreated	2024-09-07T08:24:28.271144
MetadataModified	2024-09-08T00:24:07.943058
MetadataPublished	2023-02-16
Related Molecule

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

Data-Source Molecule ID	Data-Source
166625044	PubChem
The data in this table is sourced from UniChem at EBI.