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6,8-Nonadien-3-ol, 9-(2-methyl-2H-azepin-7-yl)-, (E,E)-
SpectraBase Compound ID 2FJVlOUOMnM
InChI InChI=1S/C16H23NO/c1-3-16(18)13-7-5-4-6-11-15-12-9-8-10-14(2)17-15/h4-6,8-12,14,16,18H,3,7,13H2,1-2H3/b5-4+,11-6+
InChIKey KHTLRQIIXPTJFM-LJIKRCSCSA-N
Mol Weight 245.37 g/mol
Molecular Formula C16H23NO
Exact Mass 245.177964 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2wkDyHf0Aa3
Name 6,8-Nonadien-3-ol, 9-(2-methyl-2H-azepin-7-yl)-, (E,E)-
Alternate Name(s) (-)-Deoxohydroxychalciporone (6E,8E)-9-(2-methyl-2H-azepin-7-yl)-6,8-nonadien-3-ol 7-Methyl-2-(7-hydroxynona-1,3-dienyl)-3H-azepine
CAS Registry Number 112448-76-7
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H23NO
InChI InChI=1S/C16H23NO/c1-3-16(18)13-7-5-4-6-11-15-12-9-8-10-14(2)17-15/h4-6,8-12,14,16,18H,3,7,13H2,1-2H3/b5-4+,11-6+
InChIKey KHTLRQIIXPTJFM-LJIKRCSCSA-N
Molecular Weight 245.366 g/mol
SMILES OC(CC\C=C\C=C\C1=NC(C=CC=C1)C)CC
SPLASH splash10-0a4i-0920000000-698836cfb26f89af8703
Source of Spectrum F-43-1081-5
Wiley ID 1248207