Dataset

infrared absorption spectroscopy (IR)

Chemical Info

InChI	InChI=1S/C46H40O4/c1-5-39(47)31-9-17-35(18-10-31)43-25-44(36-19-11-32(12-20-36)40(48)6-2)28-45(26-43,37-21-13-33(14-22-37)41(49)7-3)30-46(27-43,29-44)38-23-15-34(16-24-38)42(50)8-4/h1-4,9-24,39-42,47-50H,25-30H2
SMILES	OC(c1ccc(cc1)C12CC3(CC(C2)(CC(C1)(C3)c1ccc(cc1)C(C#C)O)c1ccc(cc1)C(C#C)O)c1ccc(cc1)C(C#C)O)C#C
InChI Key	OLNPZWHACNBOEV-UHFFFAOYSA-N
Molecular Formula	C46H40O4
Exact Mass	656.807 g/mol

Data and Resources

• infrared absorption spectroscopy (IR)HTML
  Explore

  • More information
  • Go to resource

• infrared-absorption...

Metadata Information

• Additional
• Measurement
• Molecule Data-Sources

Field	Value
DOI	10.14272/OLNPZWHACNBOEV-UHFFFAOYSA-N/IR
License URL
Source	https://www.chemotion-repository.net/inchikey/OLNPZWHACNBOEV-UHFFFAOYSA-N/IR
Version
Author	Yu-Chieh Huang
Maintainer	Chemotion Repository
Language	english
MetadataCreated	2024-09-07T01:20:24.009149
MetadataModified	2024-09-07T15:27:40.727186
MetadataPublished	2019-06-27

Field	Value
Measurement Technique	infrared absorption spectroscopy
Measurement Variables

Data-Source Molecule ID	Data-Source
138453586	PubChem
The data in this table is sourced from UniChem at EBI.