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5H-Pyrrolo[3,4-d][1,2,3,4]tetrazolo[1,5-a]pyrimidin-5-one, 6-butyl-4,6,7,8-tetrahydro-7-methylene-8-phenyl-
SpectraBase Compound ID BtRUO9C9yaH
InChI InChI=1S/C17H18N6O/c1-3-4-10-22-11(2)13-14(16(22)24)18-17-19-20-21-23(17)15(13)12-8-6-5-7-9-12/h5-9,15H,2-4,10H2,1H3,(H,18,19,21)
InChIKey TXHHEVWYYAPCDF-UHFFFAOYSA-N
Mol Weight 322.37 g/mol
Molecular Formula C17H18N6O
Exact Mass 322.154209 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID HvKrnIQLbEh
Name 5H-Pyrrolo[3,4-d][1,2,3,4]tetrazolo[1,5-a]pyrimidin-5-one, 6-butyl-4,6,7,8-tetrahydro-7-methylene-8-phenyl-
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Formula C17H18N6O
InChI InChI=1S/C17H18N6O/c1-3-4-10-22-11(2)13-14(16(22)24)18-17-19-20-21-23(17)15(13)12-8-6-5-7-9-12/h5-9,15H,2-4,10H2,1H3,(H,18,19,21)
InChIKey TXHHEVWYYAPCDF-UHFFFAOYSA-N
Molecular Weight 322.372 g/mol
SMILES N1c2[n](C(C3=C1C(N(C3=C)CCCC)=O)c1ccccc1)nnn2
SPLASH splash10-006w-5952000000-040b9e612a337941f212
Source of Spectrum IY-2-4819-8
Wiley ID 1656181