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(2E)-1-(1,2,2-trimethylcyclopentyl)-2-pentene-1,4-dione
SpectraBase Compound ID 9opIg6R2Wde
InChI InChI=1S/C13H20O2/c1-10(14)6-7-11(15)13(4)9-5-8-12(13,2)3/h6-7H,5,8-9H2,1-4H3/b7-6+
InChIKey OEAWUKBLZBMTNY-VOTSOKGWSA-N
Mol Weight 208.3 g/mol
Molecular Formula C13H20O2
Exact Mass 208.14633 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 3Qrl9Zokqxc
Name (2E)-1-(1,2,2-trimethylcyclopentyl)-2-pentene-1,4-dione
Alternate Name(s) (E)-1-(1,2,2-trimethylcyclopentyl)-2-pentene-1,4-dione (E)-1-(1,2,2-trimethylcyclopentyl)pent-2-ene-1,4-dione
CAS Registry Number 54769-79-8
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H20O2
InChI InChI=1S/C13H20O2/c1-10(14)6-7-11(15)13(4)9-5-8-12(13,2)3/h6-7H,5,8-9H2,1-4H3/b7-6+
InChIKey OEAWUKBLZBMTNY-VOTSOKGWSA-N
Molecular Weight 208.301 g/mol
SMILES C1(C(\C=C\C(=O)C)=O)(C(CCC1)(C)C)C
SPLASH splash10-00kf-9100000000-ece59a9e3bf7c1cf9b1c
Source of Spectrum F-50-9103-2
Wiley ID 1207346