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12-(3',5'-Dimethylisoxazol-4'-yl)-12-oxododecanoic acid
SpectraBase Compound ID CgGxGTqhLDG
InChI InChI=1S/C17H27NO4/c1-13-17(14(2)22-18-13)15(19)11-9-7-5-3-4-6-8-10-12-16(20)21/h3-12H2,1-2H3,(H,20,21)
InChIKey OVDGOSOMSBPSRT-UHFFFAOYSA-N
Mol Weight 309.41 g/mol
Molecular Formula C17H27NO4
Exact Mass 309.194008 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID JCk49lm30kO
Name 12-(3',5'-Dimethylisoxazol-4'-yl)-12-oxododecanoic acid
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C17H27NO4
InChI InChI=1S/C17H27NO4/c1-13-17(14(2)22-18-13)15(19)11-9-7-5-3-4-6-8-10-12-16(20)21/h3-12H2,1-2H3,(H,20,21)
InChIKey OVDGOSOMSBPSRT-UHFFFAOYSA-N
Molecular Weight 309.406 g/mol
SMILES OC(CCCCCCCCCCC(c1c(onc1C)C)=O)=O
SPLASH splash10-0079-0900000000-47f6a988b1d084500d96
Source of Spectrum Y4-84-331-5
Synonyms 12-(3,5-dimethyl-4-isoxazolyl)-12-oxododecanoic acid
Wiley ID 1550130