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seco-kotomolide
SpectraBase Compound ID 6pYUUDoLRBp
InChI InChI=1S/C17H30O4/c1-4-5-6-7-8-9-10-11-12-13-15(17(20)21-3)16(19)14(2)18/h19H,4-13H2,1-3H3/b16-15+
InChIKey MRWDELFMQBJGHG-FOCLMDBBSA-N
Mol Weight 298.42 g/mol
Molecular Formula C17H30O4
Exact Mass 298.214409 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 35w0nA9YdAr
Name seco-kotomolide
Alternate Name(s) Methyl (2E)-3-hydroxy-4-oxo-2-undecyl-2-pentenoate Methyl 1-acetyl-1-hydroxytridec-1-ene-2-carboxylate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C17H30O4
InChI InChI=1S/C17H30O4/c1-4-5-6-7-8-9-10-11-12-13-15(17(20)21-3)16(19)14(2)18/h19H,4-13H2,1-3H3/b16-15+
InChIKey MRWDELFMQBJGHG-FOCLMDBBSA-N
Molecular Weight 298.423 g/mol
SMILES O\C(=C/(CCCCCCCCCCC)C(=O)OC)C(=O)C
SPLASH splash10-00kb-3890000000-43b1d4d65e8ee816d35e
Source of Spectrum X2-68-1322-3
Wiley ID 1609690