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1-(1-ADAMANTYL)-3-NITRO-5-BROMO-1,2,4-TRIAZOLE

View entire compound with spectra: 2 NMR, and 1 MS (GC)

1-(1-ADAMANTYL)-3-NITRO-5-BROMO-1,2,4-TRIAZOLE
SpectraBase Compound ID 4aJHhqhhmrb
InChI InChI=1S/C12H15BrN4O2/c13-10-14-11(17(18)19)15-16(10)12-4-7-1-8(5-12)3-9(2-7)6-12/h7-9H,1-6H2
InChIKey JOYREPAPBAQBHG-UHFFFAOYSA-N
Mol Weight 327.18 g/mol
Molecular Formula C12H15BrN4O2
Exact Mass 326.037839 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID FSK7ZeU8HSE
Name 1-(1-Adamantyl)-5-bromo-3-nitro-1H-1,2,4-triazole
Alternate Name(s) 1-(1-adamantyl)-5-bromanyl-3-nitro-1,2,4-triazole 1-(1-adamantyl)-5-bromo-3-nitro-1,2,4-triazole
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Formula C12H15BrN4O2
InChI InChI=1S/C12H15BrN4O2/c13-10-14-11(17(18)19)15-16(10)12-4-7-1-8(5-12)3-9(2-7)6-12/h7-9H,1-6H2
InChIKey JOYREPAPBAQBHG-UHFFFAOYSA-N
Molecular Weight 327.182 g/mol
SMILES c1(nc(Br)[n](n1)C12CC3CC(C2)CC(C1)C3)N(=O)=O
SPLASH splash10-000l-9400000000-5bdb0bc815d6de50ccfb
Wiley ID 1511207