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N-sec-butyl Pentylone

View entire compound with spectra: 1 MS (GC)

N-sec-butyl Pentylone
SpectraBase Compound ID ExjWnt6teUd
InChI InChI=1S/C16H23NO3/c1-4-6-13(17-11(3)5-2)16(18)12-7-8-14-15(9-12)20-10-19-14/h7-9,11,13,17H,4-6,10H2,1-3H3
InChIKey BKWYAZGGZTXSSF-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 3PrjKWudqN
Name N-sec-butyl Pentylone
Catalog Number 27084
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H23NO3
InChI InChI=1S/C16H23NO3/c1-4-6-13(17-11(3)5-2)16(18)12-7-8-14-15(9-12)20-10-19-14/h7-9,11,13,17H,4-6,10H2,1-3H3
InChIKey BKWYAZGGZTXSSF-UHFFFAOYSA-N
Molecular Weight 277.364 g/mol
SMILES N(C(C(c1ccc2c(c1)OCO2)=O)CCC)C(CC)C
SPLASH splash10-004i-5900000000-c4d8f39ffc06b25d8c61
Source of Spectrum CAY-2023-459-0
Wiley ID 1888424