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CROCUSATIN-E
SpectraBase Compound ID 3ZIqC68m2yN
InChI InChI=1S/C9H14O/c1-7-4-8(10)6-9(2,3)5-7/h5H,4,6H2,1-3H3
InChIKey LKOKKQDYMZUSCG-UHFFFAOYSA-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 58yVxEYRYe
Name 3,5,5-trimethylcyclohex-3-en-1-one
Carrier Gas Helium (75 kPa) (2.5 ml/min)
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Exact Mass 138.104465070 u
Formula C9H14O
GC Column DB-Wax or DB-1 or DB-210 (30 m x 0.32 mm, film thickness 0.25 micrometer)
GC Oven Program Oven temp 200oC
InChI InChI=1S/C9H14O/c1-7-4-8(10)6-9(2,3)5-7/h5H,4,6H2,1-3H3
InChIKey LKOKKQDYMZUSCG-UHFFFAOYSA-N
Inlet Type Split (1:24)
Instrument Name Shimadzu GC 14A
Ionization Type EI
Literature Reference DOI 10.1002/jhrc.1240141118
Molecular Weight 138.210 g/mol
Quality 201
SMILES CC1(C=C(CC(C1)=O)C)C
SPLASH splash10-000t-9100000000-e2adcc37d6f3cfafbab6
Source of Spectrum HRC-14-773-2 (DOI: 10.1002/jhrc.1240141118)
Wiley ID 1910732