infrared absorption spectroscopy (IR)
URL: https://www.chemotion-repository.net/inchikey/IVKCVZVSJRFIRC-MBQJPOQHSA-N/IR
Dataset description:
dataset for infrared absorption spectroscopy (IR)\n\n
Chemical Info
InChI | InChI=1S/C42H26I2N6/c43-29-5-1-25(2-6-29)39-31-9-13-35(47-31)41(27-17-21-45-22-18-27)37-15-11-33(49-37)40(26-3-7-30(44)8-4-26)34-12-16-38(50-34)42(28-19-23-46-24-20-28)36-14-10-32(39)48-36/h1-24,47,50H/b39-31-,39-32-,40-33-,40-34-,41-35-,41-37-,42-36-,42-38- |
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SMILES | Ic1ccc(cc1)/C/1=C/2\C=CC(=N2)/C(=c\2/cc/c(=C(/C3=N/C(=C(\c4[nH]c1cc4)/c1ccncc1)/C=C3)\c1ccc(cc1)I)/[nH]2)/c1ccncc1 |
InChI Key | IVKCVZVSJRFIRC-MBQJPOQHSA-N |
Molecular Formula | C42H26I2N6 |
Exact Mass | 868.505 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 | d9ce5c47-acac-4fe0-98cf-c48a3bc0454a |
Package id | 10-14272-ivkcvzvsjrfirc-mbqjpoqhsa-n-ir |
Resource type | HTML |
State | active |