Dataset

infrared absorption spectroscopy (IR)

Chemical Info

InChI	InChI=1S/C37H47N3O10/c1-20(2)26-16-7-21(3)17-31(26)50-35(42)28-19-30(37(44)49-6)39(33(28)23-8-12-24(13-9-23)40(45)46)34(41)27-18-29(36(43)48-5)38-32(27)22-10-14-25(47-4)15-11-22/h8-15,20-21,26-33,38H,7,16-19H2,1-6H3/t21-,26+,27-,28+,29-,30+,31-,32-,33+/m1/s1
SMILES	COC(=O)[C@@H]1C[C@@H]([C@@H](N1C(=O)[C@@H]1C[C@@H](N[C@@H]1c1ccc(cc1)OC)C(=O)OC)c1ccc(cc1)[N+](=O)[O-])C(=O)O[C@@H]1C[C@H](C)CC[C@H]1C(C)C
InChI Key	XYQJNPUPLVHWIY-GGLDVGBHSA-N
Molecular Formula	C37H47N3O10
Exact Mass	693.783 g/mol

Data and Resources

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Metadata Information

• Additional
• Measurement
• Molecule Data-Sources

Field	Value
DOI	10.14272/XYQJNPUPLVHWIY-GGLDVGBHSA-N/IR
License URL
Source	https://www.chemotion-repository.net/inchikey/XYQJNPUPLVHWIY-GGLDVGBHSA-N/IR
Version
Author	Yu-Chieh Huang
Maintainer	Chemotion Repository
Language	english
MetadataCreated	2024-09-07T01:17:39.301871
MetadataModified	2024-09-07T15:23:38.513705
MetadataPublished	2019-06-27

Field	Value
Measurement Technique	infrared absorption spectroscopy
Measurement Variables

Data-Source Molecule ID	Data-Source
138453535	PubChem
The data in this table is sourced from UniChem at EBI.