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4,8,8-Trimethyl-4-acetylcyclooct-2(cis)-enone
SpectraBase Compound ID G5QM307ZnjZ
InChI InChI=1S/C13H20O2/c1-10(14)13(4)8-5-7-12(2,3)11(15)6-9-13/h6,9H,5,7-8H2,1-4H3/b9-6-
InChIKey PGPUFSUHDRURFB-TWGQIWQCSA-N
Mol Weight 208.3 g/mol
Molecular Formula C13H20O2
Exact Mass 208.14633 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 4FstiNS3xk3
Name 4,8,8-Trimethyl-4-acetylcyclooct-2(cis)-enone
Alternate Name(s) 2-Cycloocten-1-one, 4-acetyl-4,8,8-trimethyl-, stereoisomer 4,8,8-Trimethyl-4-acetylcyclooct-2(trans)-enone 4-Acetyl-4,8,8-trimethyl-2-cycloocten-1-one
CAS Registry Number 58691-25-1
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H20O2
InChI InChI=1S/C13H20O2/c1-10(14)13(4)8-5-7-12(2,3)11(15)6-9-13/h6,9H,5,7-8H2,1-4H3/b9-6-
InChIKey PGPUFSUHDRURFB-TWGQIWQCSA-N
Molecular Weight 208.301 g/mol
SMILES C1(\C=C/C(CCCC1(C)C)(C(=O)C)C)=O
SPLASH splash10-00kf-9300000000-fdd743ed7866c37e0895
Source of Spectrum H-59-11-10
Wiley ID 1207126