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(Z)-Ternine
SpectraBase Compound ID FrUk8EdI9fO
InChI InChI=1S/C13H16O2/c1-2-3-4-9-12-10-7-5-6-8-11(10)13(14)15-12/h6,8-9H,2-5,7H2,1H3/b12-9-
InChIKey HMAYXYFQOZZPEZ-XFXZXTDPSA-N
Mol Weight 204.27 g/mol
Molecular Formula C13H16O2
Exact Mass 204.11503 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID E29ft7cWVZo
Name (Z)-Ternine
CAS Registry Number 116964-00-2
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H16O2
GC Column J&W DB-5 (30 m x 0.25 mm ID x 0.25 ??m film thickness)
GC Oven Program 60 ??C to 246 ??C at 3 ??C/min.
InChI InChI=1S/C13H16O2/c1-2-3-4-9-12-10-7-5-6-8-11(10)13(14)15-12/h6,8-9H,2-5,7H2,1H3/b12-9-
InChIKey HMAYXYFQOZZPEZ-XFXZXTDPSA-N
Molecular Weight 204.269 g/mol
SMILES C1(O\C(=C/CCCC)C2=C1C=CCC2)=O
SPLASH splash10-0a4i-8900000000-58be8005bb2f6b073ba4
Source of Spectrum Adams' Essential Oil Components (GC-MS), Version 4
Synonyms Ternine
Wiley ID 1887828