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4,6,8-Nonatrien-3-one, 9-(7-methyl-3H-azepin-2-yl)-, (E,E,E)-

View entire compound with spectra: 1 MS (GC)

4,6,8-Nonatrien-3-one, 9-(7-methyl-3H-azepin-2-yl)-, (E,E,E)-
SpectraBase Compound ID 6d1wxYakruu
InChI InChI=1S/C16H19NO/c1-3-16(18)13-7-5-4-6-11-15-12-9-8-10-14(2)17-15/h4-11,13H,3,12H2,1-2H3/b5-4+,11-6+,13-7+
InChIKey GJJSCPWOVZDEHA-OZTSFBTFSA-N
Mol Weight 241.33 g/mol
Molecular Formula C16H19NO
Exact Mass 241.146664 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID LI1AaozNr9G
Name 4,6,8-Nonatrien-3-one, 9-(7-methyl-3H-azepin-2-yl)-, (E,E,E)-
CAS Registry Number 112448-73-4
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H19NO
InChI InChI=1S/C16H19NO/c1-3-16(18)13-7-5-4-6-11-15-12-9-8-10-14(2)17-15/h4-11,13H,3,12H2,1-2H3/b5-4+,11-6+,13-7+
InChIKey GJJSCPWOVZDEHA-OZTSFBTFSA-N
Molecular Weight 241.334 g/mol
SMILES C=1(N=C(CC=CC1)\C=C\C=C\C=C\C(=O)CC)C
SPLASH splash10-0563-3980000000-117f5b91473561e22af0
Source of Spectrum F-43-1081-4
Wiley ID 1244296