Dataset

infrared absorption spectroscopy (IR)

Chemical Info

InChI	InChI=1S/C26H34N2O7/c1-6-23(29)27-21(26(31)34-5)14-20(24(27)17-8-10-18(11-9-17)28(32)33)25(30)35-22-13-16(4)7-12-19(22)15(2)3/h6,8-11,15-16,19-22,24H,1,7,12-14H2,2-5H3/t16-,19+,20+,21+,22-,24+/m1/s1
SMILES	COC(=O)[C@@H]1C[C@@H]([C@@H](N1C(=O)C=C)c1ccc(cc1)[N+](=O)[O-])C(=O)O[C@@H]1C[C@H](C)CC[C@H]1C(C)C
InChI Key	QTIMOFYNCLBALY-HCPOVZLESA-N
Molecular Formula	C26H34N2O7
Exact Mass	486.557 g/mol

Data and Resources

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Metadata Information

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• Measurement
• Molecule Data-Sources

Field	Value
DOI	10.14272/QTIMOFYNCLBALY-HCPOVZLESA-N/IR
License URL
Source	https://www.chemotion-repository.net/inchikey/QTIMOFYNCLBALY-HCPOVZLESA-N/IR
Version
Author	Yu-Chieh Huang
Maintainer	Chemotion Repository
Language	english
MetadataCreated	2024-09-07T01:18:11.311606
MetadataModified	2024-09-07T15:24:26.119674
MetadataPublished	2019-06-27

Field	Value
Measurement Technique	infrared absorption spectroscopy
Measurement Variables

Data-Source Molecule ID	Data-Source
138453544	PubChem
The data in this table is sourced from UniChem at EBI.