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15-(3',5'-Dimethylisoxazol-4'-yl)-15-oxopentadecanoic acid
SpectraBase Compound ID 7uY9PPcl9VO
InChI InChI=1S/C20H33NO4/c1-16-20(17(2)25-21-16)18(22)14-12-10-8-6-4-3-5-7-9-11-13-15-19(23)24/h3-15H2,1-2H3,(H,23,24)
InChIKey JUYUENVEYSWCLG-UHFFFAOYSA-N
Mol Weight 351.5 g/mol
Molecular Formula C20H33NO4
Exact Mass 351.240959 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 54pGAQlhuyO
Name 15-(3',5'-Dimethylisoxazol-4'-yl)-15-oxopentadecanoic acid
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C20H33NO4
InChI InChI=1S/C20H33NO4/c1-16-20(17(2)25-21-16)18(22)14-12-10-8-6-4-3-5-7-9-11-13-15-19(23)24/h3-15H2,1-2H3,(H,23,24)
InChIKey JUYUENVEYSWCLG-UHFFFAOYSA-N
Molecular Weight 351.487 g/mol
SMILES OC(CCCCCCCCCCCCCC(c1c(onc1C)C)=O)=O
SPLASH splash10-0ab9-0900000000-e6d629a5614f710a35e4
Source of Spectrum Y4-84-331-5
Synonyms 15-(3,5-dimethyl-4-isoxazolyl)-15-oxopentadecanoic acid
Wiley ID 1550129