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3-(4-Methoxyphenyl)-7-methyl-2-(methylsulfanyl)-4,5-dihydro-3H-azepine

View entire compound with spectra: 1 FTIR, and 2 MS (GC)

3-(4-Methoxyphenyl)-7-methyl-2-(methylsulfanyl)-4,5-dihydro-3H-azepine
SpectraBase Compound ID DsBEgiZrWAh
InChI InChI=1S/C15H19NOS/c1-11-5-4-6-14(15(16-11)18-3)12-7-9-13(17-2)10-8-12/h5,7-10,14H,4,6H2,1-3H3
InChIKey VYHUYWWSCTVKSO-UHFFFAOYSA-N
Mol Weight 261.38 g/mol
Molecular Formula C15H19NOS
Exact Mass 261.118735 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 6QtOBDRn7B5
Name 3-(4-Methoxyphenyl)-7-methyl-2-(methylsulfanyl)-4,5-dihydro-3H-azepine
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 261.118735409 u
Formula C15H19NOS
InChI InChI=1S/C15H19NOS/c1-11-5-4-6-14(15(16-11)18-3)12-7-9-13(17-2)10-8-12/h5,7-10,14H,4,6H2,1-3H3
InChIKey VYHUYWWSCTVKSO-UHFFFAOYSA-N
Molecular Weight 261.383 g/mol
SMILES C1(=NC(=CCCC1C1=CC=C(C=C1)OC)C)SC
Spectrum/Structure Validation Score (Vapor Phase IR) 0.971688