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2-Pentene-1,4-dione, 1-(1,2,2-trimethyl-5-oxocyclopentyl)-, (Z)-
SpectraBase Compound ID KNNMuWWdVv8
InChI InChI=1S/C13H18O3/c1-9(14)5-6-10(15)13(4)11(16)7-8-12(13,2)3/h5-6H,7-8H2,1-4H3/b6-5-
InChIKey FZMWHWKNUDSKDM-WAYWQWQTSA-N
Mol Weight 222.28 g/mol
Molecular Formula C13H18O3
Exact Mass 222.125594 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID JynQ822lKd
Name 2-Pentene-1,4-dione, 1-(1,2,2-trimethyl-5-oxocyclopentyl)-, (Z)-
Alternate Name(s) (2Z)-1-(1,2,2-trimethyl-5-oxocyclopentyl)-2-pentene-1,4-dione (Z)-5-(1',2',2'-trimethyl-5'-oxo-1'-cyclopentyl)-3-penten-2,5-dione
CAS Registry Number 70412-51-0
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H18O3
InChI InChI=1S/C13H18O3/c1-9(14)5-6-10(15)13(4)11(16)7-8-12(13,2)3/h5-6H,7-8H2,1-4H3/b6-5-
InChIKey FZMWHWKNUDSKDM-WAYWQWQTSA-N
Molecular Weight 222.284 g/mol
SMILES C1(C(CCC1=O)(C)C)(C(\C=C/C(=O)C)=O)C
SPLASH splash10-0005-9500000000-97e27834d9f844495873
Source of Spectrum H-62-565-0
Wiley ID 1222504