Dataset

high-resolution mass spectrometry (HRMS)

Chemical Info

InChI	InChI=1S/C17H16N2O4/c1-8-5-12(17(21)23-4)19-16-13(22-3)7-10-6-11(9(2)20)18-15(10)14(8)16/h5-7,18H,1-4H3
SMILES	COC(=O)c1cc(C)c2c(n1)c(OC)cc1c2[nH]c(c1)C(=O)C
InChI Key	GJNRAOKPAMBFHT-UHFFFAOYSA-N
Molecular Formula	C17H16N2O4
Exact Mass	312.320 g/mol

Data and Resources

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Metadata Information

• Additional
• Measurement
• Molecule Data-Sources

Field	Value
DOI	10.14272/GJNRAOKPAMBFHT-UHFFFAOYSA-N/CHMO0000498
License URL
Source	https://www.chemotion-repository.net/inchikey/GJNRAOKPAMBFHT-UHFFFAOYSA-N/CHMO0000498
Version
Author	Lena J. Daumann
Maintainer	Chemotion Repository
Language	english
MetadataCreated	2024-09-07T07:52:32.296046
MetadataModified	2024-09-07T23:42:27.629013
MetadataPublished	2022-11-02

Field	Value
Measurement Technique	high-resolution mass spectrometry
Measurement Variables

Data-Source Molecule ID	Data-Source
No additional information available for this Dataset.