Dataset

infrared absorption spectroscopy (IR)

Chemical Info

InChI	InChI=1S/C48H48N3O3/c1-43(2)37-22-19-31(28-40(37)46(7,8)49(43)52)13-16-34-25-35(17-14-32-20-23-38-41(29-32)47(9,10)50(53)44(38,3)4)27-36(26-34)18-15-33-21-24-39-42(30-33)48(11,12)51(54)45(39,5)6/h19-30H,1-12H3
SMILES	[O]N1C(C)(C)c2c(C1(C)C)cc(cc2)C#Cc1cc(C#Cc2ccc3c(c2)C(C)(C)N(C3(C)C)[O])cc(c1)C#Cc1ccc2c(c1)C(C)(C)N(C2(C)C)[O]
InChI Key	KVGHWZYWHPTWEZ-UHFFFAOYSA-N
Molecular Formula	C48H48N3O3
Exact Mass	714.913 g/mol

Data and Resources

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Metadata Information

• Additional
• Measurement

Field	Value
DOI	10.14272/KVGHWZYWHPTWEZ-UHFFFAOYSA-N/IR
License URL
Source	https://www.chemotion-repository.net/inchikey/KVGHWZYWHPTWEZ-UHFFFAOYSA-N/IR
Version
Author	Yu-Chieh Huang
Maintainer	Chemotion Repository
Language	english
MetadataCreated	2024-09-07T01:15:31.708119
MetadataModified	2024-09-07T15:20:31.441809
MetadataPublished	2019-06-27

Field	Value
Measurement Technique	infrared absorption spectroscopy
Measurement Variables