Dataset

infrared absorption spectroscopy (IR)

Chemical Info

InChI	InChI=1S/C37H40N2O6/c1-8-36(5,6)37-21-30(31(40)43-7)39(32(37)38(34(42)45-35(2,3)4)29-20-14-13-19-28(29)37)33(41)44-22-27-25-17-11-9-15-23(25)24-16-10-12-18-26(24)27/h8-20,27,30,32H,1,21-22H2,2-7H3/t30-,32-,37+/m0/s1
SMILES	COC(=O)[C@@H]1C[C@@]2([C@H](N1C(=O)OCC1c3ccccc3-c3c1cccc3)N(c1c2cccc1)C(=O)OC(C)(C)C)C(C=C)(C)C
InChI Key	LMQZYEPTBZGIFV-JGADYYLWSA-N
Molecular Formula	C37H40N2O6
Exact Mass	608.723 g/mol

Data and Resources

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Metadata Information

• Additional
• Measurement
• Molecule Data-Sources

Field	Value
DOI	10.14272/LMQZYEPTBZGIFV-JGADYYLWSA-N/IR
License URL
Source	https://www.chemotion-repository.net/inchikey/LMQZYEPTBZGIFV-JGADYYLWSA-N/IR
Version
Author	Yu-Chieh Huang
Maintainer	Chemotion Repository
Language	english
MetadataCreated	2024-09-07T01:11:32.260022
MetadataModified	2024-09-07T15:14:31.426016
MetadataPublished	2019-06-27
Related Molecule

Field	Value
Measurement Technique	infrared absorption spectroscopy
Measurement Variables

Data-Source Molecule ID	Data-Source
138453445	PubChem
The data in this table is sourced from UniChem at EBI.