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(6E,8E)-9-(2-methyl-2H-azepin-7-yl)-3-nona-6,8-dienone

View entire compound with spectra: 1 MS (GC)

(6E,8E)-9-(2-methyl-2H-azepin-7-yl)-3-nona-6,8-dienone
SpectraBase Compound ID 5CaMo8yTHwJ
InChI InChI=1S/C16H21NO/c1-3-16(18)13-7-5-4-6-11-15-12-9-8-10-14(2)17-15/h4-6,8-12,14H,3,7,13H2,1-2H3/b5-4+,11-6+
InChIKey YHYHJUHRELVMJW-LJIKRCSCSA-N
Mol Weight 243.35 g/mol
Molecular Formula C16H21NO
Exact Mass 243.162314 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID GrvGxRw4aBa
Name (6E,8E)-9-(2-methyl-2H-azepin-7-yl)-3-nona-6,8-dienone
Alternate Name(s) (6E,8E)-9-(2-methyl-2H-azepin-7-yl)nona-6,8-dien-3-one
CAS Registry Number 112448-74-5
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H21NO
InChI InChI=1S/C16H21NO/c1-3-16(18)13-7-5-4-6-11-15-12-9-8-10-14(2)17-15/h4-6,8-12,14H,3,7,13H2,1-2H3/b5-4+,11-6+
InChIKey YHYHJUHRELVMJW-LJIKRCSCSA-N
Molecular Weight 243.350 g/mol
SMILES C1(=NC(C=CC=C1)C)\C=C\C=C\CCC(=O)CC
SPLASH splash10-0a4i-1900000000-219162106a515555f936
Source of Spectrum F-43-1080-1
Wiley ID 1246247