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(R)-9-benzyl-4a-phenyl-3,4,4a,9-tetrahydro-2H-carbazole
SpectraBase Compound ID JzYUUW3hMjY
InChI InChI=1S/C25H23N/c1-3-11-20(12-4-1)19-26-23-16-8-7-15-22(23)25(18-10-9-17-24(25)26)21-13-5-2-6-14-21/h1-8,11-17H,9-10,18-19H2/t25-/m1/s1
InChIKey ILPYZMVOMAFYJD-RUZDIDTESA-N
Mol Weight 337.47 g/mol
Molecular Formula C25H23N
Exact Mass 337.18305 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 1rxieKj2Z19
Name (R)-9-Benzyl-4A-phenyl-3,4,4A,9-tetrahydro-2H-carbazole
Comments Computed using SmartSpectra Model v1.42
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Exact Mass 337.183049745 u
Formula C25H23N
InChI InChI=1S/C25H23N/c1-3-11-20(12-4-1)19-26-23-16-8-7-15-22(23)25(18-10-9-17-24(25)26)21-13-5-2-6-14-21/h1-8,11-17H,9-10,18-19H2/t25-/m1/s1
InChIKey ILPYZMVOMAFYJD-RUZDIDTESA-N
Molecular Weight 337.466 g/mol
SMILES C1=CC=C2N(CC3=CC=CC=C3)C=3[C@@](C2=C1)(C1=CC=CC=C1)CCCC3
Spectrum/Structure Validation Score (Vapor Phase IR) 0.832344