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(+/-)-(1R*,2R*,4R*)-4-(Hydroxymethyl)-2-[4-(4-methylphenyl)-1H-1,2,3-triazol-1-yl]cyclopentenecarbonitrile
SpectraBase Compound ID GjhqRFaSHUp
InChI InChI=1S/C16H18N4O/c1-11-2-4-13(5-3-11)15-9-20(19-18-15)16-7-12(10-21)6-14(16)8-17/h2-5,9,12,14,16,21H,6-7,10H2,1H3/t12-,14+,16-/m1/s1
InChIKey VSKKAGDUFVETTG-IVMMDQJWSA-N
Mol Weight 282.35 g/mol
Molecular Formula C16H18N4O
Exact Mass 282.148061 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID AyAyqqSftEU
Name (+/-)-(1R*,2R*,4R*)-4-(Hydroxymethyl)-2-[4-(4-methylphenyl)-1H-1,2,3-triazol-1-yl]cyclopentenecarbonitrile
Alternate Name(s) (1R,2R,4R)-4-(hydroxymethyl)-2-(4-(p-tolyl)-1H-1,2,3-triazol-1-yl)cyclopentanecarbonitrile
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Formula C16H18N4O
InChI InChI=1S/C16H18N4O/c1-11-2-4-13(5-3-11)15-9-20(19-18-15)16-7-12(10-21)6-14(16)8-17/h2-5,9,12,14,16,21H,6-7,10H2,1H3/t12-,14+,16-/m1/s1
InChIKey VSKKAGDUFVETTG-IVMMDQJWSA-N
Molecular Weight 282.347 g/mol
SMILES OC[C@]1(C[C@@]([n]2nnc(c2)-c2ccc(cc2)C)([C@](C#N)(C1)[H])[H])[H]
SPLASH splash10-00lr-2910000000-ef433f9d6ebda2a0a430
Source of Spectrum F-71-330-5b
Wiley ID 1743323