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phenyl-[(5Z)-2,3,4,7-tetrahydro-1-benzazonin-1-yl]methanone
SpectraBase Compound ID AlNhQkHaEX6
InChI InChI=1S/C19H19NO/c21-19(17-12-5-3-6-13-17)20-15-9-2-1-4-10-16-11-7-8-14-18(16)20/h1,3-8,11-14H,2,9-10,15H2/b4-1-
InChIKey HKXOXBJXNMIOSJ-RJRFIUFISA-N
Mol Weight 277.37 g/mol
Molecular Formula C19H19NO
Exact Mass 277.146664 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 7Kq51Kb9wgX
Name Phenyl-[(5Z)-2,3,4,7-tetrahydro-1-benzazonin-1-yl]methanone
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 277.146664235 u
Formula C19H19NO
InChI InChI=1S/C19H19NO/c21-19(17-12-5-3-6-13-17)20-15-9-2-1-4-10-16-11-7-8-14-18(16)20/h1,3-8,11-14H,2,9-10,15H2/b4-1-
InChIKey HKXOXBJXNMIOSJ-RJRFIUFISA-N
Molecular Weight 277.367 g/mol
SMILES C(N1C=2C(C\C=C/CCC1)=CC=CC2)(=O)C1=CC=CC=C1
Spectrum/Structure Validation Score (Vapor Phase IR) 0.879009