Dataset

infrared absorption spectroscopy (IR)

Chemical Info

InChI	InChI=1S/C23H32N2O6/c1-13(2)17-10-5-14(3)11-20(17)31-22(26)18-12-19(23(27)30-4)24-21(18)15-6-8-16(9-7-15)25(28)29/h6-9,13-14,17-21,24H,5,10-12H2,1-4H3/t14-,17+,18+,19+,20-,21+/m1/s1
SMILES	COC(=O)[C@@H]1C[C@@H]([C@@H](N1)c1ccc(cc1)[N+](=O)[O-])C(=O)O[C@@H]1C[C@H](C)CC[C@H]1C(C)C
InChI Key	ABZHCBLDGLLLQR-CBQIQWOPSA-N
Molecular Formula	C23H32N2O6
Exact Mass	432.510 g/mol

Data and Resources

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Metadata Information

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• Measurement
• Molecule Data-Sources

Field	Value
DOI	10.14272/ABZHCBLDGLLLQR-CBQIQWOPSA-N/IR
License URL
Source	https://www.chemotion-repository.net/inchikey/ABZHCBLDGLLLQR-CBQIQWOPSA-N/IR
Version
Author	Yu-Chieh Huang
Maintainer	Chemotion Repository
Language	english
MetadataCreated	2024-09-07T01:19:42.439376
MetadataModified	2024-09-07T15:26:40.144233
MetadataPublished	2019-06-27

Field	Value
Measurement Technique	infrared absorption spectroscopy
Measurement Variables

Data-Source Molecule ID	Data-Source
138453569	PubChem
The data in this table is sourced from UniChem at EBI.