Dataset

high-resolution mass spectrometry (HRMS)

Chemical Info

InChI	InChI=1S/C17H16N2O5/c1-8-5-10(16(20)23-3)19-15-12(22-2)7-9-6-11(17(21)24-4)18-14(9)13(8)15/h5-7,18H,1-4H3
SMILES	COC(=O)c1cc(C)c2c(n1)c(OC)cc1c2[nH]c(c1)C(=O)OC
InChI Key	HIUDDUFOZHEUFH-UHFFFAOYSA-N
Molecular Formula	C17H16N2O5
Exact Mass	328.319 g/mol

Data and Resources

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Metadata Information

• Additional
• Measurement
• Molecule Data-Sources

Field	Value
DOI	10.14272/HIUDDUFOZHEUFH-UHFFFAOYSA-N/CHMO0000498
License URL
Source	https://www.chemotion-repository.net/inchikey/HIUDDUFOZHEUFH-UHFFFAOYSA-N/CHMO0000498
Version
Author	Lena J. Daumann
Maintainer	Chemotion Repository
Language	english
MetadataCreated	2024-09-07T07:52:48.946590
MetadataModified	2024-09-07T23:42:48.657083
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.