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2-methylcyclopent-2-en-1-one
SpectraBase Compound ID Ao7uwdMb4co
InChI InChI=1S/C6H8O/c1-5-3-2-4-6(5)7/h3H,2,4H2,1H3
InChIKey ZSBWUNDRDHVNJL-UHFFFAOYSA-N
Mol Weight 96.13 g/mol
Molecular Formula C6H8O
Exact Mass 96.057515 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID CYe8gCP4BX8
Name 2-methyl-2-Cyclopenten-1-one
Carrier Gas Helium (1 mL/min)
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Exact Mass 96.057514877 u
Formula C6H8O
GC Column DB-5ms (30 m x 0.25 mm, film thickness 0.25 micrometer)
GC Oven Program Oven temp 250oC
InChI InChI=1S/C6H8O/c1-5-3-2-4-6(5)7/h3H,2,4H2,1H3
InChIKey ZSBWUNDRDHVNJL-UHFFFAOYSA-N
Instrument Name Agilent series 7890B
Ionization Type EI
Literature Reference DOI 10.1021/acs.jafc.1c04415
Molecular Weight 96.129 g/mol
Quality 1000
SMILES C1C(C(=CC1)C)=O
SPLASH splash10-014j-9000000000-673c5713604b142086fb
Source of Spectrum JAFC-70-SM8-8-1 (DOI: 10.1021/acs.jafc.1c04415)
Wiley ID 1911511