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2,4-Pentanedione, 3-[(3,5-dimethyl-4-isoxazolyl)methyl]-
SpectraBase Compound ID 9P0BP3iPkWx
InChI InChI=1S/C11H15NO3/c1-6-10(9(4)15-12-6)5-11(7(2)13)8(3)14/h11H,5H2,1-4H3
InChIKey LLGGXXBJWYMZDC-UHFFFAOYSA-N
Mol Weight 209.24 g/mol
Molecular Formula C11H15NO3
Exact Mass 209.105193 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID JWXS4I1dVcP
Name 2,4-Pentanedione, 3-[(3,5-dimethyl-4-isoxazolyl)methyl]-
CAS Registry Number 16858-07-4
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C11H15NO3
InChI InChI=1S/C11H15NO3/c1-6-10(9(4)15-12-6)5-11(7(2)13)8(3)14/h11H,5H2,1-4H3
InChIKey LLGGXXBJWYMZDC-UHFFFAOYSA-N
Molecular Weight 209.245 g/mol
SMILES Cc1c(CC(C(C)=O)C(C)=O)c(C)on1
SPLASH splash10-014l-9800000000-5315209c0fd6bb92a3ef
Source of Spectrum O-2-2061-2
Synonyms 3-[(3,5-Dimethyl-4-isoxazolyl)methyl]-2,4-pentanedione 3-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pentane-2,4-dione 3-[(3,5-dimethyl-4-isoxazolyl)methyl]pentane-2,4-dione 3-[(3,5-dimethylisoxazol-4-yl)methyl]pentane-2,4-dione
Wiley ID 1208072