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N-tert-butyl Pentylone

View entire compound with spectra: 1 MS (GC)

N-tert-butyl Pentylone
SpectraBase Compound ID I1NyhN7EeSK
InChI InChI=1S/C16H23NO3/c1-5-6-12(17-16(2,3)4)15(18)11-7-8-13-14(9-11)20-10-19-13/h7-9,12,17H,5-6,10H2,1-4H3
InChIKey JLWSTXCAALQEDZ-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 46j0e4WO5LZ
Name N-tert-butyl Pentylone
Catalog Number 27080
Copyright Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H23NO3
InChI InChI=1S/C16H23NO3/c1-5-6-12(17-16(2,3)4)15(18)11-7-8-13-14(9-11)20-10-19-13/h7-9,12,17H,5-6,10H2,1-4H3
InChIKey JLWSTXCAALQEDZ-UHFFFAOYSA-N
Molecular Weight 277.364 g/mol
SMILES N(C(C(=O)c1cc2OCOc2cc1)CCC)C(C)(C)C
SPLASH splash10-00fr-9700000000-28a290e499061304984b
Source of Spectrum CAY-2023-467-0
Wiley ID 1888432