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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 FcZdaeLYrDB
Name 2-HEPTANONE, 6-(3-ACETYL-1-CYCLOPROPEN-1-YL)-3-HYDROXY-6-METHYL-, (R*,R*)-
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. 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 224.1407
SMILES OC(CCC(C=1C(C(C)=O)C1)(C)C)C(=O)C
SPLASH splash10-000x-9700000000-95d8b2f988b15797907e
Source of Spectrum Chemical Concepts, A Wiley Division, Weinheim, Germany