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1-hydroxy-2,5-hexanedione
SpectraBase Compound ID I0IhJrQBR4Q
InChI InChI=1S/C6H10O3/c1-5(8)2-3-6(9)4-7/h7H,2-4H2,1H3
InChIKey YXADPHVQSSNJLB-UHFFFAOYSA-N
Mol Weight 130.14 g/mol
Molecular Formula C6H10O3
Exact Mass 130.062994 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 72n27l1M8Wp
Name 1-hydroxy-2,5-hexanedione
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C6H10O3
InChI InChI=1S/C6H10O3/c1-5(8)2-3-6(9)4-7/h7H,2-4H2,1H3
InChIKey YXADPHVQSSNJLB-UHFFFAOYSA-N
Instrument Name Agilent 6890N GC-5973 MS
Ionization Type EI
Literature Reference DOI 10.1002/anie.202211461
Molecular Weight 130.143 g/mol
Quality 473
SMILES OCC(CCC(C)=O)=O
SPLASH splash10-0002-9100000000-9bfd0cbfeef34e3cfc2e
Source of Spectrum ACI-62-SM15-Figure S9-C (DOI: 10.1002/anie.202211461)
Wiley ID 1908393