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php-m (oxo-) P653

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

php-m (oxo-) P653
SpectraBase Compound ID G92aCBrIUlC
InChI InChI=1S/C16H21NO2/c1-2-3-10-14(17-12-7-11-15(17)18)16(19)13-8-5-4-6-9-13/h4-6,8-9,14H,2-3,7,10-12H2,1H3
InChIKey GAXQDPLHUOWKOL-UHFFFAOYSA-N
Mol Weight 259.35 g/mol
Molecular Formula C16H21NO2
Exact Mass 259.157229 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID AFNpsR9vGAQ
Name php-m (oxo-) P653
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 259.157228918 u
Formula C16H21NO2
InChI InChI=1S/C16H21NO2/c1-2-3-10-14(17-12-7-11-15(17)18)16(19)13-8-5-4-6-9-13/h4-6,8-9,14H,2-3,7,10-12H2,1H3
InChIKey GAXQDPLHUOWKOL-UHFFFAOYSA-N
Molecular Weight 259.349 g/mol
SMILES CCCCC(C(C=1C=CC=CC1)=O)N1CCCC1=O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.960981