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php-m (Dihydro-oxo-) ac P926

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

php-m (Dihydro-oxo-) ac P926
SpectraBase Compound ID BMyqUspElQZ
InChI InChI=1S/C18H25NO3/c1-3-4-11-16(19-13-8-12-17(19)21)18(22-14(2)20)15-9-6-5-7-10-15/h5-7,9-10,16,18H,3-4,8,11-13H2,1-2H3
InChIKey GQULHWKMPJWBOX-UHFFFAOYSA-N
Mol Weight 303.4 g/mol
Molecular Formula C18H25NO3
Exact Mass 303.183444 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID l2lNjol9KO
Name php-m (Dihydro-oxo-) ac P926
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 303.183443666 u
Formula C18H25NO3
InChI InChI=1S/C18H25NO3/c1-3-4-11-16(19-13-8-12-17(19)21)18(22-14(2)20)15-9-6-5-7-10-15/h5-7,9-10,16,18H,3-4,8,11-13H2,1-2H3
InChIKey GQULHWKMPJWBOX-UHFFFAOYSA-N
SMILES CC(OC(C1=CC=CC=C1)C(CCCC)N1C(CCC1)=O)=O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.830211