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pv-8-A (-2H)

View entire compound with spectra: 1 NMR, 1 FTIR, and 3 MS (GC)

pv-8-A (-2H)
SpectraBase Compound ID FI3rwAg4wrb
InChI InChI=1S/C17H23NO/c1-2-3-5-12-16(18-13-8-9-14-18)17(19)15-10-6-4-7-11-15/h4,6-7,10-12H,2-3,5,8-9,13-14H2,1H3/b16-12-
InChIKey AKNWWXQGTBGTTL-VBKFSLOCSA-N
Mol Weight 257.38 g/mol
Molecular Formula C17H23NO
Exact Mass 257.177964 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 9eFm35gOls6
Name pv-8-A (-2H)
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 257.177964364 u
Formula C17H23NO
InChI InChI=1S/C17H23NO/c1-2-3-5-12-16(18-13-8-9-14-18)17(19)15-10-6-4-7-11-15/h4,6-7,10-12H,2-3,5,8-9,13-14H2,1H3/b16-12-
InChIKey AKNWWXQGTBGTTL-VBKFSLOCSA-N
Molecular Weight 257.377 g/mol
SMILES C(\C(N1CCCC1)=C\CCCC)(C1=CC=CC=C1)=O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.967179