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(2-RS)-E-Diazomethyl-5-cyanovinyl-8-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl ketone
SpectraBase Compound ID 3oqnvF6auGa
InChI InChI=1S/C16H15N3O2/c1-21-16-7-5-11(3-2-8-17)13-6-4-12(9-14(13)16)15(20)10-19-18/h2-3,5,7,10,12H,4,6,9H2,1H3/b3-2+/t12-/m1/s1
InChIKey HHAXMGSZOXFYAV-QAVQXKDTSA-N
Mol Weight 281.31 g/mol
Molecular Formula C16H15N3O2
Exact Mass 281.116427 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID A52rj1oeiym
Name (2-RS)-E-Diazomethyl-5-cyanovinyl-8-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl ketone
Appearance Yellow needles
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Exact Mass 281.116426733 u
Formula C16H15N3O2
InChI InChI=1S/C16H15N3O2/c1-21-16-7-5-11(3-2-8-17)13-6-4-12(9-14(13)16)15(20)10-19-18/h2-3,5,7,10,12H,4,6,9H2,1H3/b3-2+/t12-/m1/s1
InChIKey HHAXMGSZOXFYAV-QAVQXKDTSA-N
Instrument Name VG Micromass 7070F double focusing
Ionization Type EI
Literature Reference DOI 10.3998/ark.5550190.0004.813
Quality 287
Reported Formula C16H15N3O2
SMILES C1(=C2C(=C(C=C1)OC)C[C@@](CC2)(C(=O)C=[N+]=[N-])[H])\C=C\C#N
SPLASH splash10-0j6r-5930000000-9634a9304be7a03881c6
Source of Spectrum ARK-2003-127-16 (DOI: 10.3998/ark.5550190.0004.813)
Wiley ID 1901092