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1-Tert-butyl-4-[1-(isocyanomethyl)]benzene
SpectraBase Compound ID B1xJYubdPkO
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

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID GizvuHH0492
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