Dataset

infrared absorption spectroscopy (IR)

Chemical Info

InChI	InChI=1S/C14H19NO6/c1-20-9-4-2-8(3-5-9)6-15-11-13(18)12(17)10(7-16)21-14(11)19/h2-6,10-14,16-19H,7H2,1H3/b15-6+/t10-,11-,12-,13-,14?/m1/s1
SMILES	OC[C@H]1OC(O)[C@@H]([C@H]([C@@H]1O)O)/N=C/c1ccc(cc1)OC
InChI Key	NMMULIPYJSFGRK-NORGFBNHSA-N
Molecular Formula	C14H19NO6
Exact Mass	297.304 g/mol

Data and Resources

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Metadata Information

• Additional
• Measurement
• Molecule Data-Sources

Field	Value
DOI	10.14272/NMMULIPYJSFGRK-NORGFBNHSA-N/IR
License URL
Source	https://www.chemotion-repository.net/inchikey/NMMULIPYJSFGRK-NORGFBNHSA-N/IR
Version
Author	Benjamin Goerling
Maintainer	Chemotion Repository
Language	english
MetadataCreated	2024-09-06T22:44:24.173875
MetadataModified	2024-09-07T12:10:48.823020
MetadataPublished	2014-05-27

Field	Value
Measurement Technique	infrared absorption spectroscopy
Measurement Variables

Data-Source Molecule ID	Data-Source
SCHEMBL4987394	SureChEMBL
J2.729.994F	Nikkaji
The data in this table is sourced from UniChem at EBI.