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(+)-(3aR,7aR)-2-Phenyl-trans-3a,4,5,6,7,7a-hexahydrobenzimidazole
SpectraBase Compound ID 7z1rxk7F5xU
InChI InChI=1S/C13H16N2/c1-2-6-10(7-3-1)13-14-11-8-4-5-9-12(11)15-13/h1-3,6-7,11-12H,4-5,8-9H2,(H,14,15)/t11-,12-/m1/s1
InChIKey OBBQKJAKOJDAOE-VXGBXAGGSA-N
Mol Weight 200.28 g/mol
Molecular Formula C13H16N2
Exact Mass 200.131349 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 7bzmfH7Gw68
Name (+)-(3aR,7aR)-2-Phenyl-trans-3a,4,5,6,7,7a-hexahydrobenzimidazole
Alternate Name(s) (3aR,7aR)-2-phenyl-3a,4,5,6,7,7a-hexahydro-1H-benzimidazole
Comments Less than 3 mono-isotopic peaks
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Formula C13H16N2
InChI InChI=1S/C13H16N2/c1-2-6-10(7-3-1)13-14-11-8-4-5-9-12(11)15-13/h1-3,6-7,11-12H,4-5,8-9H2,(H,14,15)/t11-,12-/m1/s1
InChIKey OBBQKJAKOJDAOE-VXGBXAGGSA-N
Molecular Weight 200.285 g/mol
SMILES N1[C@@]2(CCCC[C@]2(N=C1c1ccccc1)[H])[H]
SPLASH splash10-0a4i-0940000000-64b68be1620d67e71952
Source of Spectrum SO-0-172-3
Wiley ID 872971