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Buphedrone pent

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

Buphedrone pent
SpectraBase Compound ID 40Tub0si1oM
InChI InChI=1S/C16H23NO2/c1-4-6-12-15(18)17(3)14(5-2)16(19)13-10-8-7-9-11-13/h7-11,14H,4-6,12H2,1-3H3
InChIKey UQXJCGIRJGWMKO-UHFFFAOYSA-N
Mol Weight 261.36 g/mol
Molecular Formula C16H23NO2
Exact Mass 261.172879 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 9WE478VdLKC
Name Buphedrone pent
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 261.172878983 u
Formula C16H23NO2
InChI InChI=1S/C16H23NO2/c1-4-6-12-15(18)17(3)14(5-2)16(19)13-10-8-7-9-11-13/h7-11,14H,4-6,12H2,1-3H3
InChIKey UQXJCGIRJGWMKO-UHFFFAOYSA-N
Molecular Weight 261.365 g/mol
SMILES C(C(C1=CC=CC=C1)=O)(N(C(CCCC)=O)C)CC
Spectrum/Structure Validation Score (Vapor Phase IR) 0.969194