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(2-amino-5-phenyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)amine

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

(2-amino-5-phenyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)amine
SpectraBase Compound ID FycFnLRVXmg
InChI InChI=1S/C12H11N5/c13-10-9-8(7-4-2-1-3-5-7)6-15-11(9)17-12(14)16-10/h1-6H,(H5,13,14,15,16,17)
InChIKey LEOTWBKRAWDNPV-UHFFFAOYSA-N
Mol Weight 225.26 g/mol
Molecular Formula C12H11N5
Exact Mass 225.101445 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID HvlyRKyaSPZ
Name (2-Amino-5-phenyl-7H-pyrrolo[2,3-D]pyrimidin-4-yl)amine
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 225.101445374 u
Formula C12H11N5
InChI InChI=1S/C12H11N5/c13-10-9-8(7-4-2-1-3-5-7)6-15-11(9)17-12(14)16-10/h1-6H,(H5,13,14,15,16,17)
InChIKey LEOTWBKRAWDNPV-UHFFFAOYSA-N
Molecular Weight 225.255 g/mol
SMILES C1=2C(NC(=NC2N)N)=NC=C1C=1C=CC=CC1
Spectrum/Structure Validation Score (Vapor Phase IR) 0.9516