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5-Methyltricyclo[3.3.0.0(2,8)]octan-3-one
SpectraBase Compound ID KgsJOtwBXZe
InChI InChI=1S/C9H12O/c1-9-3-2-5-7(8(5)9)6(10)4-9/h5,7-8H,2-4H2,1H3
InChIKey DKOAVWDFGXQRSV-UHFFFAOYSA-N
Mol Weight 136.19 g/mol
Molecular Formula C9H12O
Exact Mass 136.088815 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 5FfzFxjcF77
Name 5-Methyltricyclo[3.3.0.0(2,8)]octan-3-one
Alternate Name(s) 4a-methylhexahydrocyclopropa[cd]pentalen-2(1H)-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C9H12O
InChI InChI=1S/C9H12O/c1-9-3-2-5-7(8(5)9)6(10)4-9/h5,7-8H,2-4H2,1H3
InChIKey DKOAVWDFGXQRSV-UHFFFAOYSA-N
Literature Reference DOI 10.1002/hlca.19860690318
Molecular Weight 136.194 g/mol
SMILES C1(CC2(CCC3C2C13)C)=O
SPLASH splash10-002f-9000000000-875297f9d72adcd644b5
Source of Spectrum H-69-681-20
Wiley ID 1797641