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Diacetyl obscuraminol E

View entire compound with spectra: 1 MS (GC)

Diacetyl obscuraminol E
SpectraBase Compound ID 1JLWSIN6IzP
InChI InChI=1S/C20H37NO3/c1-5-6-7-8-9-10-11-12-13-14-15-16-20(24-19(4)23)17(2)21-18(3)22/h8-9,17,20H,5-7,10-16H2,1-4H3,(H,21,22)/b9-8-/t17-,20+/m0/s1
InChIKey STBFZRMOGBUGJO-XGKTYTASSA-N
Mol Weight 339.5 g/mol
Molecular Formula C20H37NO3
Exact Mass 339.277344 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID GoNzCVIDUWQ
Name Diacetyl obscuraminol E
Alternate Name(s) Acetic acid [(Z,2S,3R)-2-acetamidohexadec-11-en-3-yl] ester [(Z,2S,3R)-2-acetamidohexadec-11-en-3-yl] acetate [(Z,1R)-1-[(1S)-1-acetamidoethyl]tetradec-9-enyl] acetate [(Z,2S,3R)-2-acetamidohexadec-11-en-3-yl] ethanoate
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Formula C20H37NO3
InChI InChI=1S/C20H37NO3/c1-5-6-7-8-9-10-11-12-13-14-15-16-20(24-19(4)23)17(2)21-18(3)22/h8-9,17,20H,5-7,10-16H2,1-4H3,(H,21,22)/b9-8-/t17-,20+/m0/s1
InChIKey STBFZRMOGBUGJO-XGKTYTASSA-N
Molecular Weight 339.520 g/mol
SMILES N(C(=O)C)[C@]([C@](OC(=O)C)(CCCCCCC\C=C/CCCC)[H])(C)[H]
SPLASH splash10-000i-9020000000-ad551e063f6a5bf978f4
Source of Spectrum KC-57-4585-5
Wiley ID 1624225