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1H-Azepine, hexahydro-1-(1,2,3,4-tetrahydro-4,5,8-trimethyl-2-naphthyl)-

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

1H-Azepine, hexahydro-1-(1,2,3,4-tetrahydro-4,5,8-trimethyl-2-naphthyl)-
SpectraBase Compound ID 6Y7A7eBX21u
InChI InChI=1S/C19H29N/c1-14-8-9-15(2)19-16(3)12-17(13-18(14)19)20-10-6-4-5-7-11-20/h8-9,16-17H,4-7,10-13H2,1-3H3
InChIKey KTKDUHJCKPMPTP-UHFFFAOYSA-N
Mol Weight 271.45 g/mol
Molecular Formula C19H29N
Exact Mass 271.23 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 19XLR24inQs
Name 1H-Azepine, hexahydro-1-(1,2,3,4-tetrahydro-4,5,8-trimethyl-2-naphthyl)-
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 271.229999938 u
Formula C19H29N
InChI InChI=1S/C19H29N/c1-14-8-9-15(2)19-16(3)12-17(13-18(14)19)20-10-6-4-5-7-11-20/h8-9,16-17H,4-7,10-13H2,1-3H3
InChIKey KTKDUHJCKPMPTP-UHFFFAOYSA-N
SMILES C1(C)C2=C(CC(C1)N1CCCCCC1)C(C)=CC=C2C
Spectrum/Structure Validation Score (Vapor Phase IR) 0.869117