SpectraBase Compound ID | B1xJYubdPkO |
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InChI | InChI=1S/C13H17N/c1-10(9-14)11-5-7-12(8-6-11)13(2,3)4/h5-8,10H,1-4H3 |
InChIKey | ORNRYOSNYRQVSG-UHFFFAOYSA-N |
Mol Weight | 187.29 g/mol |
Molecular Formula | C13H17N |
Exact Mass | 187.1361 g/mol |
SpectraBase Spectrum ID | GizvuHH0492 |
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Name | 1-Tert-butyl-4-[1-(isocyanomethyl)]benzene |
Comments | Computed using SmartSpectra Model v1.42 |
Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass | 187.136099551 u |
Formula | C13H17N |
InChI | InChI=1S/C13H17N/c1-10(9-14)11-5-7-12(8-6-11)13(2,3)4/h5-8,10H,1-4H3 |
InChIKey | ORNRYOSNYRQVSG-UHFFFAOYSA-N |
Molecular Weight | 187.286 g/mol |
SMILES | C(#N)C(C1=CC=C(C(C)(C)C)C=C1)C |
Spectrum/Structure Validation Score (Vapor Phase IR) | 0.954863 |