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2-Heptanone, 6-(3-acetyl-1-cyclopropen-1-yl)-3-hydroxy-6-methyl-, (R*,R*)-
SpectraBase Compound ID GISRVTHxKDU
InChI InChI=1S/C13H20O3/c1-8(14)10-7-11(10)13(3,4)6-5-12(16)9(2)15/h7,10,12,16H,5-6H2,1-4H3
InChIKey IHGOOXFPNBWGFQ-UHFFFAOYSA-N
Mol Weight 224.3 g/mol
Molecular Formula C13H20O3
Exact Mass 224.141245 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 9Sxg163B3RY
Name 2-Heptanone, 6-(3-acetyl-1-cyclopropen-1-yl)-3-hydroxy-6-methyl-, (R*,R*)-
CAS Registry Number 78091-85-7
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H20O3
InChI InChI=1S/C13H20O3/c1-8(14)10-7-11(10)13(3,4)6-5-12(16)9(2)15/h7,10,12,16H,5-6H2,1-4H3
InChIKey IHGOOXFPNBWGFQ-UHFFFAOYSA-N
Molecular Weight 224.300 g/mol
SMILES OC(C(C)=O)CCC(C)(C)C1=CC1C(=O)C
SPLASH splash10-000x-9700000000-40bd6e04b7245ebeb41e
Synonyms 6-(3-Acetyl-1-cyclopropen-1-yl)-3-hydroxy-6-methyl-2-heptanone 6-(3-acetyl-1-cyclopropenyl)-3-hydroxy-6-methyl-2-heptanone 6-(3-acetylcyclopropen-1-yl)-3-hydroxy-6-methyl-heptan-2-one 6-(3-Ethanoylcyclopropen-1-yl)-6-methyl-3-oxidanyl-heptan-2-one
Wiley ID 1488230