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(1R*,9R*,10S*,Z)-9-Acetoxy-11-(2-azidoethyl)-1-methoxy-11-azabicyclo[8.2.0]dodec-5-ene-3,7-diyne-12-one

View entire compound with spectra: 1 MS (GC)

(1R*,9R*,10S*,Z)-9-Acetoxy-11-(2-azidoethyl)-1-methoxy-11-azabicyclo[8.2.0]dodec-5-ene-3,7-diyne-12-one
SpectraBase Compound ID AXXtsmwtMMk
InChI InChI=1S/C16H16N4O4/c1-12(21)24-13-8-6-4-3-5-7-9-16(23-2)14(13)20(15(16)22)11-10-18-19-17/h3-4,13-14H,9-11H2,1-2H3/b4-3-/t13-,14+,16-/m1/s1
InChIKey SREXMKAPEFTCQS-LJKPJROJSA-N
Mol Weight 328.33 g/mol
Molecular Formula C16H16N4O4
Exact Mass 328.117155 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID B38KmAWR5nc
Name (1R*,9R*,10S*,Z)-9-Acetoxy-11-(2-azidoethyl)-1-methoxy-11-azabicyclo[8.2.0]dodec-5-ene-3,7-diyne-12-one
Alternate Name(s) (1R,9R,10S)-11-(2-azidoethyl)-1-methoxy-12-oxo-11-azabicyclo[8.2.0]dodec-5-ene-3,7-diyn-9-yl acetate Acetic acid[(1S,2R,5Z,10R)-12-(2-azidoethyl)-10-methoxy-11-oxo-12-azabicyclo[8.2.0]dodec-5-en-3,7-diyn-2-yl]ester Acetic acid[(1S,2R,5Z,10R)-12-(2-azidoethyl)-11-keto-10-methoxy-12-azabicyclo[8.2.0]dodec-5-en-3,7-diyn-2-yl]ester [(1S,2R,5Z,10R)-12-(2-azidoethyl)-10-methoxy-11-oxidanylidene-12-azabicyclo[8.2.0]dodec-5-en-3,7-diyn-2-yl]ethanoate [(1S,2R,5Z,10R)-12-(2-azidoethyl)-10-methoxy-11-oxo-12-azabicyclo[8.2.0]dodec-5-en-3,7-diyn-2-yl]acetate Acetic acid [(1S,2R,5Z,10R)-12-(2-azidoethyl)-10-methoxy-11-oxo-12-azabicyclo[8.2.0]dodec-5-en-3,7-diyn-2-yl] ester [(1S,2R,5Z,10R)-12-(2-azidoethyl)-10-methoxy-11-oxo-12-azabicyclo[8.2.0]dodec-5-en-3,7-diyn-2-yl] acetate [(1S,2R,5Z,10R)-12-(2-azidoethyl)-10-methoxy-11-oxidanylidene-12-azabicyclo[8.2.0]dodec-5-en-3,7-diyn-2-yl] ethanoate
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Formula C16H16N4O4
InChI InChI=1S/C16H16N4O4/c1-12(21)24-13-8-6-4-3-5-7-9-16(23-2)14(13)20(15(16)22)11-10-18-19-17/h3-4,13-14H,9-11H2,1-2H3/b4-3-/t13-,14+,16-/m1/s1
InChIKey SREXMKAPEFTCQS-LJKPJROJSA-N
Molecular Weight 328.328 g/mol
SMILES [C@@]12(C(=O)N([C@]2([C@@](C#C\C=C/C#CC1)(OC(=O)C)[H])[H])CCN=[N+]=[N-])OC
SPLASH splash10-006x-5900000000-670367b82f2bed883c8b
Source of Spectrum U1-2002-3753-27
Wiley ID 1523481