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pce ac P577

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

pce ac P577
SpectraBase Compound ID JfJ1MwNHCAd
InChI InChI=1S/C16H23NO/c1-3-17(14(2)18)16(12-8-5-9-13-16)15-10-6-4-7-11-15/h4,6-7,10-11H,3,5,8-9,12-13H2,1-2H3
InChIKey YIAAQASWAHIGFA-UHFFFAOYSA-N
Mol Weight 245.37 g/mol
Molecular Formula C16H23NO
Exact Mass 245.177964 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 5fkjdxRCGBt
Name pce ac P577
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 245.177964364 u
Formula C16H23NO
InChI InChI=1S/C16H23NO/c1-3-17(14(2)18)16(12-8-5-9-13-16)15-10-6-4-7-11-15/h4,6-7,10-11H,3,5,8-9,12-13H2,1-2H3
InChIKey YIAAQASWAHIGFA-UHFFFAOYSA-N
Molecular Weight 245.366 g/mol
SMILES C1C(CCCC1)(N(C(C)=O)CC)C=1C=CC=CC1
Spectrum/Structure Validation Score (Vapor Phase IR) 0.927072