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(1'RS,2'SR,6'RS)-4-(3'-oxo-2',4',4'-trimethylbicyclo[4.1.0]hept-2'-yl)-3-buten-2-one
SpectraBase Compound ID FeInuLqOyV8
InChI InChI=1S/C14H20O2/c1-9(15)5-6-14(4)11-7-10(11)8-13(2,3)12(14)16/h5-6,10-11H,7-8H2,1-4H3/b6-5+
InChIKey LWRCYRJOSHKJEV-AATRIKPKSA-N
Mol Weight 220.31 g/mol
Molecular Formula C14H20O2
Exact Mass 220.14633 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 4guYTzLUUj9
Name (1'RS,2'SR,6'RS)-4-(3'-oxo-2',4',4'-trimethylbicyclo[4.1.0]hept-2'-yl)-3-buten-2-one
CAS Registry Number 102635-44-9
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C14H20O2
InChI InChI=1S/C14H20O2/c1-9(15)5-6-14(4)11-7-10(11)8-13(2,3)12(14)16/h5-6,10-11H,7-8H2,1-4H3/b6-5+
InChIKey LWRCYRJOSHKJEV-AATRIKPKSA-N
Molecular Weight 220.312 g/mol
SMILES C12C(C(=O)C(CC2C1)(C)C)(\C=C\C(=O)C)C
SPLASH splash10-00di-9600000000-39487c39a30e50183d04
Source of Spectrum H-68-1102-30
Synonyms 2,4,4-trimethyl-2-[(1E)-3-oxo-1-butenyl]bicyclo[4.1.0]heptan-3-one
Wiley ID 1220199