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Cyclobutanone, 2-(1-butenyl)-3-methyl-, [2R-[2.alpha.(E),3.alpha.]]-
SpectraBase Compound ID 6OnoyH4gweW
InChI InChI=1S/C9H14O/c1-3-4-5-8-7(2)6-9(8)10/h4-5,7-8H,3,6H2,1-2H3/b5-4+/t7-,8-/m0/s1
InChIKey BPTGDRWNOVMCGF-VEVSIANRSA-N
Mol Weight 138.21 g/mol
Molecular Formula C9H14O
Exact Mass 138.104465 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID ALX0zidDW2q
Name Cyclobutanone, 2-(1-butenyl)-3-methyl-, [2R-[2.alpha.(E),3.alpha.]]-
Alternate Name(s) (2R,3S)-2-[(1E)-1-butenyl]-3-methylcyclobutanone (2R,3S)-e-2-(but-1-enyl)-3-methyl cyclobutanone
CAS Registry Number 118744-03-9
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C9H14O
InChI InChI=1S/C9H14O/c1-3-4-5-8-7(2)6-9(8)10/h4-5,7-8H,3,6H2,1-2H3/b5-4+/t7-,8-/m0/s1
InChIKey BPTGDRWNOVMCGF-VEVSIANRSA-N
Molecular Weight 138.210 g/mol
SMILES C1([C@@](\C=C\CC)([C@](C1)(C)[H])[H])=O
SPLASH splash10-001j-9000000000-703ea1b2823f694d477d
Source of Spectrum F-45-3159-18
Wiley ID 1138173