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N-Methoxycarbonyl-1,2,3,4,5,6-hexahydro-1,5-methanopyrido[1,2-a][1,5]diazocin-8-one
SpectraBase Compound ID IhiO06CRABB
InChI InChI=1S/C13H16N2O3/c1-18-13(17)14-6-9-5-10(8-14)11-3-2-4-12(16)15(11)7-9/h2-4,9-10H,5-8H2,1H3/t9-,10+/m0/s1
InChIKey XPJCPQOVGUMVLU-VHSXEESVSA-N
Mol Weight 248.28 g/mol
Molecular Formula C13H16N2O3
Exact Mass 248.116092 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 9LrlPekWaK0
Name N-Methoxycarbonyl-1,2,3,4,5,6-hexahydro-1,5-methanopyrido[1,2-a][1,5]diazocin-8-one
Alternate Name(s) (-)-(1R,5S)-N-Methoxycarbonyl-1,2,3,4,5,6-hexahydro-1,5-methanopyrido[1,2-a][1,5]diazocin-8-one methyl 6-oxo-7,11-diazatricyclo[7.3.1.0(2,7)]trideca-2,4-diene-11-carboxylate
Comments Less than 3 mono-isotopic peaks
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H16N2O3
InChI InChI=1S/C13H16N2O3/c1-18-13(17)14-6-9-5-10(8-14)11-3-2-4-12(16)15(11)7-9/h2-4,9-10H,5-8H2,1H3/t9-,10+/m0/s1
InChIKey XPJCPQOVGUMVLU-VHSXEESVSA-N
Molecular Weight 248.282 g/mol
SMILES C=12N(C[C@@]3(CN(C[C@]2(C3)[H])C(=O)OC)[H])C(C=CC1)=O
SPLASH splash10-0002-0910000000-fb246e4cf233bf4ba76c
Source of Spectrum KD-13-1302-6
Wiley ID 1635339