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Catalponone
SpectraBase Compound ID B3IoIByeMd2
InChI InChI=1S/C15H16O2/c1-10(2)7-8-11-9-14(16)12-5-3-4-6-13(12)15(11)17/h3-7,11H,8-9H2,1-2H3/t11-/m1/s1
InChIKey CWIWSAPEOCRNMD-LLVKDONJSA-N
Mol Weight 228.29 g/mol
Molecular Formula C15H16O2
Exact Mass 228.11503 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 3EPEnSWEDwt
Name Catalponone
CAS Registry Number 58190-97-9
Copyright Database Compilation Copyright © 2023-2024 John Wiley and Sons, Inc. Copyright © 2023-2024 John Wiley and Sons, Inc., Portions Copyright Wiley-VCH GmbH, Adams Library under license from Diablo Analytical. All Rights Reserved.
Exact Mass 228.115029753 u
Formula C15H16O2
GC Column J&W DB-5 (30 m x 0.25 mm ID x 0.25 μm film thickness)
GC Oven Program 60 °C to 246 °C at 3 °C/min.
InChI InChI=1S/C15H16O2/c1-10(2)7-8-11-9-14(16)12-5-3-4-6-13(12)15(11)17/h3-7,11H,8-9H2,1-2H3/t11-/m1/s1
InChIKey CWIWSAPEOCRNMD-LLVKDONJSA-N
Molecular Weight 228.291 g/mol
Nominal Mass 228 u
Number of Peaks 152
SMILES c1ccc2c(c1)C([C@@](CC2=O)(CC=C(C)C)[H])=O
SPLASH splash10-03mi-5910000000-f1d71b32367ac693c76d
Source of Spectrum Adams' Essential Oil Components (GC-MS), Version 4
Wiley ID RA000289