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4-Nitro-5-(8-oxo-1,5,6,8-tetrahydro-2H,4H-1,5-methano-pyrido[1,2-a][1,5]diazocin-3-yl)-phthalonitrile

View entire compound with spectra: 1 NMR, and 1 MS (GC)

4-Nitro-5-(8-oxo-1,5,6,8-tetrahydro-2H,4H-1,5-methano-pyrido[1,2-a][1,5]diazocin-3-yl)-phthalonitrile
SpectraBase Compound ID GGHKkBtgxhM
InChI InChI=1S/C19H15N5O3/c20-7-13-5-17(18(24(26)27)6-14(13)8-21)22-9-12-4-15(11-22)16-2-1-3-19(25)23(16)10-12/h1-3,5-6,12,15H,4,9-11H2
InChIKey BMAFYQCEWBHPNE-UHFFFAOYSA-N
Mol Weight 361.36 g/mol
Molecular Formula C19H15N5O3
Exact Mass 361.117489 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID HJdYBfXwNDs
Name 4-Nitro-5-(8-oxo-1,5,6,8-tetrahydro-2H,4H-1,5-methano-pyrido[1,2-a][1,5]diazocin-3-yl)-phthalonitrile
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C19H15N5O3
InChI InChI=1S/C19H15N5O3/c20-7-13-5-17(18(24(26)27)6-14(13)8-21)22-9-12-4-15(11-22)16-2-1-3-19(25)23(16)10-12/h1-3,5-6,12,15H,4,9-11H2
InChIKey BMAFYQCEWBHPNE-UHFFFAOYSA-N
Molecular Weight 361.361 g/mol
SMILES c1(N(=O)=O)c(N2CC3C4=CC=CC(N4CC(C2)C3)=O)cc(c(c1)C#N)C#N
SPLASH splash10-0002-3910000000-47fc3ada8e455cf2aef7
Wiley ID 1454956