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(4S,5S)-3,4-Dibutoxy-2-hydroxy-5-methyl-4-vinylcyclopent-2-en-1-one
SpectraBase Compound ID 6SMXgCmpi3F
InChI InChI=1S/C16H26O4/c1-5-8-10-19-15-14(18)13(17)12(4)16(15,7-3)20-11-9-6-2/h7,12,18H,3,5-6,8-11H2,1-2,4H3/t12-,16+/m1/s1
InChIKey MOTQJDRBIHUAMB-WBMJQRKESA-N
Mol Weight 282.38 g/mol
Molecular Formula C16H26O4
Exact Mass 282.183109 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 11E2dxPKqbX
Name (4S,5S)-3,4-Dibutoxy-2-hydroxy-5-methyl-4-vinylcyclopent-2-en-1-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H26O4
InChI InChI=1S/C16H26O4/c1-5-8-10-19-15-14(18)13(17)12(4)16(15,7-3)20-11-9-6-2/h7,12,18H,3,5-6,8-11H2,1-2,4H3/t12-,16+/m1/s1
InChIKey MOTQJDRBIHUAMB-WBMJQRKESA-N
Literature Reference DOI 10.1021/jo300806y
Molecular Weight 282.380 g/mol
SMILES OC=1C(=O)[C@@](C)([C@@](OCCCC)(C=C)C1OCCCC)[H]
SPLASH splash10-0a4i-5920000000-2796844b035a835dfe06
Source of Spectrum J-77-6330-8a
Synonyms (4S,5S)-3,4-dibutoxy-2-hydroxy-5-methyl-4-vinylcyclopent-2-enone (4S,5S)-3,4-dibutoxy-4-ethenyl-2-hydroxy-5-methyl-1-cyclopent-2-enone (4S,5S)-3,4-dibutoxy-4-ethenyl-2-hydroxy-5-methylcyclopent-2-en-1-one (4S,5S)-3,4-dibutoxy-4-ethenyl-5-methyl-2-oxidanyl-cyclopent-2-en-1-one
Wiley ID 1745138