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N-Butyl-pentylone
SpectraBase Compound ID HoedbbZ5bWS
InChI InChI=1S/C16H23NO3/c1-3-5-9-17-13(6-4-2)16(18)12-7-8-14-15(10-12)20-11-19-14/h7-8,10,13,17H,3-6,9,11H2,1-2H3
InChIKey SEIQPCGGBMTHCB-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 5jhxelVNva5
Name N-butyl Pentylone
Catalog Number 26701
CAS Registry Number 17763-10-9
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H23NO3
InChI InChI=1S/C16H23NO3/c1-3-5-9-17-13(6-4-2)16(18)12-7-8-14-15(10-12)20-11-19-14/h7-8,10,13,17H,3-6,9,11H2,1-2H3
InChIKey SEIQPCGGBMTHCB-UHFFFAOYSA-N
Molecular Weight 277.364 g/mol
SMILES N(C(C(c1ccc2c(c1)OCO2)=O)CCC)CCCC
SPLASH splash10-004i-3900000000-3ede4e4fd497196b095a
Source of Spectrum CAY-2023-487-0
Wiley ID 1888450