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2-amino-4-(cyanomethyl)-7,7-dimethyl-5-oxo-5,6,7,8-tetrahydro-4H-chromene-3-carbonitrile
SpectraBase Compound ID JP4Hjss1vEe
InChI InChI=1S/C14H15N3O2/c1-14(2)5-10(18)12-8(3-4-15)9(7-16)13(17)19-11(12)6-14/h8H,3,5-6,17H2,1-2H3
InChIKey JSGNYEBPZSTLPF-UHFFFAOYSA-N
Mol Weight 257.29 g/mol
Molecular Formula C14H15N3O2
Exact Mass 257.116427 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Jb8fxhBBoAM
Name 2-amino-4-(cyanomethyl)-7,7-dimethyl-5-oxo-5,6,7,8-tetrahydro-4H-chromene-3-carbonitrile
Appearance White crystals
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Formula C14H15N3O2
InChI InChI=1S/C14H15N3O2/c1-14(2)5-10(18)12-8(3-4-15)9(7-16)13(17)19-11(12)6-14/h8H,3,5-6,17H2,1-2H3
InChIKey JSGNYEBPZSTLPF-UHFFFAOYSA-N
Instrument Name GC-MS DFS Thermo
Ionization Type EI
Literature Reference DOI 10.3762/bjoc.10.11
Molecular Weight 257.293 g/mol
Reported Formula C14H15N3O2
SMILES NC=1OC=2CC(CC(C2C(C1C#N)CC#N)=O)(C)C
SPLASH splash10-014i-0290000000-b51fefe5d4ef80a2c402
Source of Spectrum BJO-10-SM5-18
Wiley ID 1853864