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3,5-di-Tert-butyl-1-butyl-2,7-dihydro-1H-azepine

View entire compound with spectra: 1 FTIR, and 1 MS (GC)

3,5-di-Tert-butyl-1-butyl-2,7-dihydro-1H-azepine
SpectraBase Compound ID 1nyNqmQMB7x
InChI InChI=1S/C18H33N/c1-8-9-11-19-12-10-15(17(2,3)4)13-16(14-19)18(5,6)7/h10,13H,8-9,11-12,14H2,1-7H3
InChIKey NWOQRHLYRFHHTQ-UHFFFAOYSA-N
Mol Weight 263.5 g/mol
Molecular Formula C18H33N
Exact Mass 263.2613 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID H9EuitTH7iP
Name 3,5-di-Tert-butyl-1-butyl-2,7-dihydro-1H-azepine
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 263.261300067 u
Formula C18H33N
InChI InChI=1S/C18H33N/c1-8-9-11-19-12-10-15(17(2,3)4)13-16(14-19)18(5,6)7/h10,13H,8-9,11-12,14H2,1-7H3
InChIKey NWOQRHLYRFHHTQ-UHFFFAOYSA-N
Molecular Weight 263.469 g/mol
SMILES C1N(CC=C(C=C1C(C)(C)C)C(C)(C)C)CCCC
Spectrum/Structure Validation Score (Vapor Phase IR) 0.943288