infrared absorption spectroscopy (IR)
URL: https://www.chemotion-repository.net/inchikey/XNQIKUDUZMFFHM-UHFFFAOYSA-N/IR
Dataset description:
dataset for infrared absorption spectroscopy (IR)\n\n
Chemical Info
InChI | InChI=1S/C45H24N6/c46-25-34-43(49-37-19-7-1-13-28(37)29-14-2-8-20-38(29)49)35(26-47)45(51-41-23-11-5-17-32(41)33-18-6-12-24-42(33)51)36(27-48)44(34)50-39-21-9-3-15-30(39)31-16-4-10-22-40(31)50/h1-24H |
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SMILES | N#Cc1c(c(C#N)c(c(c1n1c2ccccc2c2c1cccc2)C#N)n1c2ccccc2c2c1cccc2)n1c2ccccc2c2c1cccc2 |
InChI Key | XNQIKUDUZMFFHM-UHFFFAOYSA-N |
Molecular Formula | C45H24N6 |
Exact Mass | 648.712 g/mol |
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Additional Information
Field | Value |
---|---|
Data last updated | September 7, 2024 |
Metadata last updated | September 7, 2024 |
Created | September 7, 2024 |
Format | HTML |
License | No License Provided |
Id | 37511101-9192-4dc7-ac56-031b996fefca |
Package id | 10-14272-xnqikuduzmffhm-uhfffaoysa-n-ir |
Resource type | HTML |
State | active |