caffeine.noesy
Chemical Info
InChI | InChI=1S/C8H10N4O2/c1-10-4-9-6-5(10)7(13)12(3)8(14)11(6)2/h4H,1-3H3 |
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SMILES | CN1C(=O)C2=C(N=CN2C)N(C)C1=O |
InChI Key | RYYVLZVUVIJVGH-UHFFFAOYSA-N |
Molecular Formula | C8H10N4O2 |
Exact Mass | 194.190 g/mol |
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Additional Information
Field | Value |
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Data last updated | April 22, 2024 |
Metadata last updated | April 22, 2024 |
Created | April 22, 2024 |
Format | HTML |
License | Attribution 4.0 International |
Id | cc6292c4-f1c1-47ba-a720-3f805b75cd70 |
Package id | nmrxiv-d1347 |
Resource type | HTML |
State | active |