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3-Buten-2-one, 4-(5,5-dimethyl-1-oxaspiro[2.5]oct-4-yl)
SpectraBase Compound ID LxeD62u9sQa
InChI InChI=1S/C13H20O2/c1-10(14)5-6-11-12(2,3)7-4-8-13(11)9-15-13/h5-6,11H,4,7-9H2,1-3H3/b6-5+
InChIKey YDBVTKBLLWMVJT-AATRIKPKSA-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 54fNxiKTEsg
Name 3-Buten-2-one, 4-(5,5-dimethyl-1-oxaspiro[2.5]oct-4-yl)
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H20O2
InChI InChI=1S/C13H20O2/c1-10(14)5-6-11-12(2,3)7-4-8-13(11)9-15-13/h5-6,11H,4,7-9H2,1-3H3/b6-5+
InChIKey YDBVTKBLLWMVJT-AATRIKPKSA-N
Molecular Weight 208.301 g/mol
SMILES C1(C(CCCC11OC1)(C)C)\C=C\C(C)=O
SPLASH splash10-00kf-9500000000-c67095b8113d3a5da0c1
Synonyms (3E)-4-(5,5-Dimethyl-1-oxaspiro[2.5]oct-4-yl)-3-buten-2-one (E)-4-(7,7-dimethyl-2-oxaspiro[2.5]octan-8-yl)but-3-en-2-one (E)-4-(5,5-dimethyl-1-oxaspiro[2.5]octan-4-yl)-3-buten-2-one
Wiley ID 1478568