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2-Methyl-2-(4-methoxy-2-pentenyl)cyclohexane-1,3-dione
SpectraBase Compound ID AImWr09VPcV
InChI InChI=1S/C13H20O3/c1-10(16-3)6-5-9-13(2)11(14)7-4-8-12(13)15/h5-6,10H,4,7-9H2,1-3H3/b6-5+
InChIKey VGTPXVTVCKDPDB-AATRIKPKSA-N
Mol Weight 224.3 g/mol
Molecular Formula C13H20O3
Exact Mass 224.141245 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID GqAyVrFZhnD
Name 2-Methyl-2-(4-methoxy-2-pentenyl)cyclohexane-1,3-dione
Alternate Name(s) 2-[(2E)-4-methoxy-2-pentenyl]-2-methyl-1,3-cyclohexanedione
CAS Registry Number 113893-95-1
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H20O3
InChI InChI=1S/C13H20O3/c1-10(16-3)6-5-9-13(2)11(14)7-4-8-12(13)15/h5-6,10H,4,7-9H2,1-3H3/b6-5+
InChIKey VGTPXVTVCKDPDB-AATRIKPKSA-N
Molecular Weight 224.300 g/mol
SMILES C1(C(=O)CCCC1=O)(C\C=C\C(OC)C)C
SPLASH splash10-0005-3900000000-05cfbd464fd1f4ab6d9c
Source of Spectrum J-53-2531-17
Wiley ID 1225318