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Trans-4,6-diphenyl-2-piperidone

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Trans-4,6-diphenyl-2-piperidone
SpectraBase Compound ID HYkTl1SCcbi
InChI InChI=1S/C17H17NO/c19-17-12-15(13-7-3-1-4-8-13)11-16(18-17)14-9-5-2-6-10-14/h1-10,15-16H,11-12H2,(H,18,19)/t15-,16+/m1/s1
InChIKey ACZCIZXZZZOQHS-CVEARBPZSA-N
Mol Weight 251.33 g/mol
Molecular Formula C17H17NO
Exact Mass 251.131014 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID IcDbI439Fnk
Name Trans-4,6-diphenyl-2-piperidone
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 251.131014170 u
Formula C17H17NO
InChI InChI=1S/C17H17NO/c19-17-12-15(13-7-3-1-4-8-13)11-16(18-17)14-9-5-2-6-10-14/h1-10,15-16H,11-12H2,(H,18,19)/t15-,16+/m1/s1
InChIKey ACZCIZXZZZOQHS-CVEARBPZSA-N
Molecular Weight 251.329 g/mol
SMILES C1(N[C@@](C[C@](C1)(C=1C=CC=CC1)[H])(C1=CC=CC=C1)[H])=O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.961213