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2-(1-Adamamtyl)-2-methyl-1-phenylbutane-1,3-dione

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

2-(1-Adamamtyl)-2-methyl-1-phenylbutane-1,3-dione
SpectraBase Compound ID Arl1mXvowad
InChI InChI=1S/C21H26O2/c1-14(22)20(2,19(23)18-6-4-3-5-7-18)21-11-15-8-16(12-21)10-17(9-15)13-21/h3-7,15-17H,8-13H2,1-2H3
InChIKey NPWKGNHTRUNLFX-UHFFFAOYSA-N
Mol Weight 310.44 g/mol
Molecular Formula C21H26O2
Exact Mass 310.19328 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID DWcD3NyTY7B
Name 2-(1-Adamamtyl)-2-methyl-1-phenylbutane-1,3-dione
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 310.193280075 u
Formula C21H26O2
InChI InChI=1S/C21H26O2/c1-14(22)20(2,19(23)18-6-4-3-5-7-18)21-11-15-8-16(12-21)10-17(9-15)13-21/h3-7,15-17H,8-13H2,1-2H3
InChIKey NPWKGNHTRUNLFX-UHFFFAOYSA-N
SMILES C12(C(C(=O)C3=CC=CC=C3)(C(=O)C)C)CC3CC(C1)CC(C2)C3
Spectrum/Structure Validation Score (Vapor Phase IR) 0.964061