Dataset

infrared absorption spectroscopy (IR)

Chemical Info

InChI	InChI=1S/C27H32N2O5/c1-25(2,3)34-24(32)28-20(23(30)31)16-17-11-12-22-18(15-17)13-14-27(33-22)26(4,5)19-9-7-8-10-21(19)29(27)6/h7-15,20H,16H2,1-6H3,(H,28,32)(H,30,31)/t20-,27?/m0/s1
SMILES	O=C(OC(C)(C)C)N[C@H](C(=O)O)Cc1ccc2c(c1)C=CC1(O2)N(C)c2c(C1(C)C)cccc2
InChI Key	VGIKDSZXMNUSHJ-SVQMELKDSA-N
Molecular Formula	C27H32N2O5
Exact Mass	464.553 g/mol

Data and Resources

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Metadata Information

• Additional
• Measurement
• Molecule Data-Sources

Field	Value
DOI	10.14272/VGIKDSZXMNUSHJ-SVQMELKDSA-N/IR
License URL
Source	https://www.chemotion-repository.net/inchikey/VGIKDSZXMNUSHJ-SVQMELKDSA-N/IR
Version
Author	Yu-Chieh Huang
Maintainer	Chemotion Repository
Language	english
MetadataCreated	2024-09-07T01:24:34.394900
MetadataModified	2024-09-07T15:33:50.259965
MetadataPublished	2019-06-27

Field	Value
Measurement Technique	infrared absorption spectroscopy
Measurement Variables

Data-Source Molecule ID	Data-Source
138453648	PubChem
The data in this table is sourced from UniChem at EBI.