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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 II95EeNpbxE
Name 3,5,5-Trimethyl-3-cyclohexen-1-one
Copyright Database Compilation Copyright © 2023-2024 John Wiley and Sons, Inc. Copyright © 2023-2024 John Wiley and Sons, Inc., Portions Copyright Wiley-VCH GmbH, Adams Library under license from Diablo Analytical. All Rights Reserved.
Exact Mass 138.104465070 u
Formula C9H14O
InChI InChI=1S/C9H14O/c1-7-4-8(10)6-9(2,3)5-7/h5H,4,6H2,1-3H3
InChIKey LKOKKQDYMZUSCG-UHFFFAOYSA-N
Instrument Name HP 5890 Series II-5972
Ionization Type EI
Literature Reference DOI 10.1002/jsfa.3679
Molecular Weight 138.210 g/mol
Number of Peaks 4
SMILES C1(CC(=CC(C1)(C)C)C)=O
SPLASH splash10-007t-9700000000-fbd314f738c76c96410d
Source of Spectrum SFA-89-1953-21 (DOI: 10.1002/jsfa.3679)
Wiley ID 1840254