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5-Methyl-4-propyl-3-vinyl-4,5-dihydro-3H-benzo[c]azepine

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

5-Methyl-4-propyl-3-vinyl-4,5-dihydro-3H-benzo[c]azepine
SpectraBase Compound ID 1krfQJll7iV
InChI InChI=1S/C16H21N/c1-4-8-15-12(3)14-10-7-6-9-13(14)11-17-16(15)5-2/h5-7,9-12,15-16H,2,4,8H2,1,3H3
InChIKey NHVLCEWFECDDNU-UHFFFAOYSA-N
Mol Weight 227.35 g/mol
Molecular Formula C16H21N
Exact Mass 227.1674 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID Kq2Z60bTxZE
Name 5-Methyl-4-propyl-3-vinyl-4,5-dihydro-3H-benzo[C]azepine
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 227.167399680 u
Formula C16H21N
InChI InChI=1S/C16H21N/c1-4-8-15-12(3)14-10-7-6-9-13(14)11-17-16(15)5-2/h5-7,9-12,15-16H,2,4,8H2,1,3H3
InChIKey NHVLCEWFECDDNU-UHFFFAOYSA-N
Molecular Weight 227.351 g/mol
SMILES C1=NC(C(C(C=2C1=CC=CC2)C)CCC)C=C
Spectrum/Structure Validation Score (Vapor Phase IR) 0.917114