SpectraBase Compound ID | ITB2rPo9zvL |
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InChI | InChI=1S/C12H10N2/c13-8-12(9-14)7-3-5-10-4-1-2-6-11(10)12/h1-2,4,6H,3,5,7H2 |
InChIKey | CKZVAPKIWDULFW-UHFFFAOYSA-N |
Mol Weight | 182.23 g/mol |
Molecular Formula | C12H10N2 |
Exact Mass | 182.084398 g/mol |
SpectraBase Spectrum ID | 18IaxPBb7kO |
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Name | 1,1-Dicyano-1,2,3,4-tetrahydronaphthalene |
Comments | Computed using SmartSpectra Model v1.42 |
Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass | 182.084398330 u |
Formula | C12H10N2 |
InChI | InChI=1S/C12H10N2/c13-8-12(9-14)7-3-5-10-4-1-2-6-11(10)12/h1-2,4,6H,3,5,7H2 |
InChIKey | CKZVAPKIWDULFW-UHFFFAOYSA-N |
Molecular Weight | 182.226 g/mol |
SMILES | C1(CCCC=2C=CC=CC12)(C#N)C#N |
Spectrum/Structure Validation Score (Vapor Phase IR) | 0.806499 |