Dataset

infrared absorption spectroscopy (IR)

Chemical Info

InChI	InChI=1S/C24H21NO11/c1-11-8-16-20(15(26)10-24(36-16,23(30)34-3)17-6-7-18(27)35-17)21(28)19(11)12-4-5-13(22(29)33-2)14(9-12)25(31)32/h4-5,8-9,17,28H,6-7,10H2,1-3H3/t17-,24-/m1/s1
SMILES	COC(=O)[C@@]1(CC(=O)c2c(O1)cc(c(c2O)c1ccc(c(c1)[N+](=O)[O-])C(=O)OC)C)[C@H]1CCC(=O)O1
InChI Key	YGTISRFAPOCTOV-MZNJEOGPSA-N
Molecular Formula	C24H21NO11
Exact Mass	499.424 g/mol

Data and Resources

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Metadata Information

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• Measurement
• Molecule Data-Sources

Field	Value
DOI	10.14272/YGTISRFAPOCTOV-MZNJEOGPSA-N/IR
License URL
Source	https://www.chemotion-repository.net/inchikey/YGTISRFAPOCTOV-MZNJEOGPSA-N/IR
Version
Author	Yu-Chieh Huang
Maintainer	Chemotion Repository
Language	english
MetadataCreated	2024-09-07T01:23:01.539130
MetadataModified	2024-09-07T15:31:31.235156
MetadataPublished	2019-06-27

Field	Value
Measurement Technique	infrared absorption spectroscopy
Measurement Variables

Data-Source Molecule ID	Data-Source
138453624	PubChem
The data in this table is sourced from UniChem at EBI.