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Blumenol A
SpectraBase Compound ID 7qG6xZ7YDWb
InChI InChI=1S/C13H20O3/c1-9-7-11(15)8-12(3,4)13(9,16)6-5-10(2)14/h5-7,10,14,16H,8H2,1-4H3/b6-5+/t10-,13-/m1/s1
InChIKey KPQMCAKZRXOZLB-KOIHBYQTSA-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 95ZEvUVj2L
Name Blumenol A
Alternate Name(s) (S)-4-hydroxy-4-((R,E)-3-hydroxybut-1-en-1-yl)-3,5,5-trimethylcyclohex-2-en-1-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H20O3
InChI InChI=1S/C13H20O3/c1-9-7-11(15)8-12(3,4)13(9,16)6-5-10(2)14/h5-7,10,14,16H,8H2,1-4H3/b6-5+/t10-,13-/m1/s1
InChIKey KPQMCAKZRXOZLB-KOIHBYQTSA-N
Literature Reference DOI 10.1002/jccs.200000124
Molecular Weight 224.300 g/mol
SMILES O[C@@](\C=C\[C@@]1(C(CC(C=C1C)=O)(C)C)O)(C)[H]
SPLASH splash10-00di-0900000000-b020918111eec250f455
Source of Spectrum QA-47-918-15
Wiley ID 1795124