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N-isobutyl Pentylone

View entire compound with spectra: 1 MS (GC)

N-isobutyl Pentylone
SpectraBase Compound ID 5rumBaPeNc8
InChI InChI=1S/C16H23NO3/c1-4-5-13(17-9-11(2)3)16(18)12-6-7-14-15(8-12)20-10-19-14/h6-8,11,13,17H,4-5,9-10H2,1-3H3
InChIKey WZGHLTABQNYKJT-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 7aowXjBy7gR
Name N-isobutyl Pentylone
Catalog Number 27082
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H23NO3
InChI InChI=1S/C16H23NO3/c1-4-5-13(17-9-11(2)3)16(18)12-6-7-14-15(8-12)20-10-19-14/h6-8,11,13,17H,4-5,9-10H2,1-3H3
InChIKey WZGHLTABQNYKJT-UHFFFAOYSA-N
Molecular Weight 277.364 g/mol
SMILES N(C(C(c1ccc2c(c1)OCO2)=O)CCC)CC(C)C
SPLASH splash10-004i-4900000000-204ee275f9d74ca7720b
Source of Spectrum CAY-2023-468-0
Wiley ID 1888433