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Di-[18O]-methyl 2-{[(benzyloxy)carbonyl]amino}-4-methylpentanoate
SpectraBase Compound ID LfORlHmN9fF
InChI InChI=1S/C15H21NO4/c1-11(2)9-13(14(17)19-3)16-15(18)20-10-12-7-5-4-6-8-12/h4-8,11,13H,9-10H2,1-3H3,(H,16,18)/i17+2,19+2
InChIKey TXGKPHCJHIILKF-CYKLCKMBSA-N
Mol Weight 283.34 g/mol
Molecular Formula C15H21NO218O2
Exact Mass 283.155548 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Li1bPRH0Qzo
Name Di-[18O]-methyl 2-{[(benzyloxy)carbonyl]amino}-4-methylpentanoate
Alternate Name(s) Methyl 2-{[(benzyloxy)carbonyl]amino}-4-methylpentanoate, di-18O isotopic labeled
Comments Original formula: C15H21NO2[18O]2
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Formula C15H21NO4
InChI InChI=1S/C15H21NO4/c1-11(2)9-13(14(17)19-3)16-15(18)20-10-12-7-5-4-6-8-12/h4-8,11,13H,9-10H2,1-3H3,(H,16,18)/i17+2,19+2
InChIKey TXGKPHCJHIILKF-CYKLCKMBSA-N
Molecular Weight 283.336 g/mol
SMILES N(C(OCc1ccccc1)=O)C(C(=[18O])[18O]C)CC(C)C
SPLASH splash10-0006-9300000000-21e65ce3615207a9878f
Wiley ID 1484719