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N-methyl-N-isopropyl Pentylone

View entire compound with spectra: 1 MS (GC)

N-methyl-N-isopropyl Pentylone
SpectraBase Compound ID 21DI8hilol0
InChI InChI=1S/C16H23NO3/c1-5-6-13(17(4)11(2)3)16(18)12-7-8-14-15(9-12)20-10-19-14/h7-9,11,13H,5-6,10H2,1-4H3
InChIKey HBTINXGUXXIJKE-UHFFFAOYSA-N
Mol Weight 277.36 g/mol
Molecular Formula C16H23NO3
Exact Mass 277.167794 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID DdXHhWMGJUV
Name N-methyl-N-isopropyl Pentylone
Catalog Number 27083
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H23NO3
InChI InChI=1S/C16H23NO3/c1-5-6-13(17(4)11(2)3)16(18)12-7-8-14-15(9-12)20-10-19-14/h7-9,11,13H,5-6,10H2,1-4H3
InChIKey HBTINXGUXXIJKE-UHFFFAOYSA-N
Molecular Weight 277.364 g/mol
SMILES c12c(ccc(c2)C(C(N(C(C)C)C)CCC)=O)OCO1
SPLASH splash10-004i-5900000000-05b05f5572bc750944e6
Source of Spectrum CAY-2023-469-0
Wiley ID 1888434