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N-isopropyl Hexylone

View entire compound with spectra: 1 MS (GC)

N-isopropyl Hexylone
SpectraBase Compound ID 20iVWJuMULB
InChI InChI=1S/C16H23NO3/c1-4-5-6-13(17-11(2)3)16(18)12-7-8-14-15(9-12)20-10-19-14/h7-9,11,13,17H,4-6,10H2,1-3H3
InChIKey GWWYRQJPDDPWOJ-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 C55Jb3Jzsch
Name N-isopropyl Hexylone
Catalog Number 27076
CAS Registry Number 27912-43-2
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H23NO3
InChI InChI=1S/C16H23NO3/c1-4-5-6-13(17-11(2)3)16(18)12-7-8-14-15(9-12)20-10-19-14/h7-9,11,13,17H,4-6,10H2,1-3H3
InChIKey GWWYRQJPDDPWOJ-UHFFFAOYSA-N
Molecular Weight 277.364 g/mol
SMILES N(C(C(=O)c1cc2OCOc2cc1)CCCC)C(C)C
SPLASH splash10-004i-5900000000-ca6b733f1da4b4bd9f59
Source of Spectrum CAY-2023-122-0
Wiley ID 1888088