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Spiro[5-Methylbenzo[f]2-azepine-3,1'-3'-methylcyclohexane]

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

Spiro[5-Methylbenzo[f]2-azepine-3,1'-3'-methylcyclohexane]
SpectraBase Compound ID 4XjoLtiM3VW
InChI InChI=1S/C17H25N/c1-13-6-5-9-17(10-13)11-14(2)15-7-3-4-8-16(15)18-12-17/h3-4,7-8,13-14,18H,5-6,9-12H2,1-2H3
InChIKey YTFRYSBOPPMYIE-UHFFFAOYSA-N
Mol Weight 243.39 g/mol
Molecular Formula C17H25N
Exact Mass 243.1987 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 7TwXbsi82k3
Name Spiro[5-methylbenzo[F]2-azepine-3,1'-3'-methylcyclohexane]
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 243.198699809 u
Formula C17H25N
InChI InChI=1S/C17H25N/c1-13-6-5-9-17(10-13)11-14(2)15-7-3-4-8-16(15)18-12-17/h3-4,7-8,13-14,18H,5-6,9-12H2,1-2H3
InChIKey YTFRYSBOPPMYIE-UHFFFAOYSA-N
Molecular Weight 243.394 g/mol
SMILES C1=2NCC3(CC(C2C=CC=C1)C)CC(C)CCC3
Spectrum/Structure Validation Score (Vapor Phase IR) 0.892855