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Decarbousnic acid
SpectraBase Compound ID 3yiWFu0HXDy
InChI InChI=1S/C17H18O6/c1-7(18)5-11(20)6-12-8(2)13-15(21)9(3)16(22)14(10(4)19)17(13)23-12/h21-22H,5-6H2,1-4H3
InChIKey BLYIQXWINBIBSV-UHFFFAOYSA-N
Mol Weight 318.32 g/mol
Molecular Formula C17H18O6
Exact Mass 318.110338 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID CsAC50hlSAQ
Name 2,4-Pentanedione, 1-(7-acetyl-4,6-dihydroxy-3,5-dimethyl-2-benzofuranyl)-
CAS Registry Number 21402-79-9
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C17H18O6
InChI InChI=1S/C17H18O6/c1-7(18)5-11(20)6-12-8(2)13-15(21)9(3)16(22)14(10(4)19)17(13)23-12/h21-22H,5-6H2,1-4H3
InChIKey BLYIQXWINBIBSV-UHFFFAOYSA-N
Molecular Weight 318.325 g/mol
SMILES Oc1c(c(c2c(c1C(C)=O)oc(c2C)CC(CC(C)=O)=O)O)C
SPLASH splash10-001i-2091000000-c772e9320ba802954b14
Source of Spectrum T-68-3802-0
Synonyms 1-(7-Acetyl-4,6-dihydroxy-3,5-dimethyl-1-benzofuran-2-yl)-2,4-pentanedione 1-(7-acetyl-4,6-dihydroxy-3,5-dimethyl-1-benzofuran-2-yl)pentane-2,4-dione 1-(7-acetyl-4,6-dihydroxy-3,5-dimethyl-2-benzofuranyl)pentane-2,4-dione 1-(7-acetyl-4,6-dihydroxy-3,5-dimethyl-benzofuran-2-yl)pentane-2,4-dione 1-[7-ethanoyl-3,5-dimethyl-4,6-bis(oxidanyl)-1-benzofuran-2-yl]pentane-2,4-dione Decarbousnic Decarbousnic acid
Wiley ID 1318374