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B,8b,12b-triamino-12d-methyltribenzo-centrotriquinacen

View entire compound with spectra: 1 FTIR, and 3 MS (GC)

B,8b,12b-triamino-12d-methyltribenzo-centrotriquinacen
SpectraBase Compound ID 8qV0vbSP8F7
InChI InChI=1S/C23H21N3/c1-20-21(24)14-8-2-3-9-15(14)22(20,25)18-12-6-7-13-19(18)23(20,26)17-11-5-4-10-16(17)21/h2-13H,24-26H2,1H3
InChIKey TZFDTVODWFUBEX-UHFFFAOYSA-N
Mol Weight 339.44 g/mol
Molecular Formula C23H21N3
Exact Mass 339.173548 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID Io6KG7EdD5Q
Name B,8B,12B-Triamino-12D-methyltribenzo-centrotriquinacen
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 339.173547688 u
Formula C23H21N3
InChI InChI=1S/C23H21N3/c1-20-21(24)14-8-2-3-9-15(14)22(20,25)18-12-6-7-13-19(18)23(20,26)17-11-5-4-10-16(17)21/h2-13H,24-26H2,1H3
InChIKey TZFDTVODWFUBEX-UHFFFAOYSA-N
Molecular Weight 339.442 g/mol
SMILES NC12C3(C(c4ccccc4C3(c3ccccc13)N)(c1c2cccc1)N)C
Spectrum/Structure Validation Score (Vapor Phase IR) 0.981478