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Aminophylline

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

Aminophylline
SpectraBase Compound ID 747hi3EiC9p
InChI InChI=1S/2C7H8N4O2.C2H8N2/c2*1-10-5-4(8-3-9-5)6(12)11(2)7(10)13;3-1-2-4/h2*3H,1-2H3,(H,8,9);1-4H2
InChIKey FQPFAHBPWDRTLU-UHFFFAOYSA-N
Mol Weight 420.43 g/mol
Molecular Formula C16H24N10O4
Exact Mass 420.198199 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2ulqMqhJjAE
Name Aminophylline
Alternate Name(s) Theophylline ethylenediamine Cardophyllin Theophyllaminum
CAS Registry Number 317-34-0
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H24N10O4
InChI InChI=1S/2C7H8N4O2.C2H8N2/c2*1-10-5-4(8-3-9-5)6(12)11(2)7(10)13;3-1-2-4/h2*3H,1-2H3,(H,8,9);1-4H2
InChIKey FQPFAHBPWDRTLU-UHFFFAOYSA-N
Molecular Weight 420.434 g/mol
SMILES NCCN.[nH]1cnc2c1C(N(C(N2C)=O)C)=O.[nH]1cnc2c1C(N(C(N2C)=O)C)=O
SPLASH splash10-001i-4900000000-fbbda272f6a3488aea30
Source of Spectrum JZ-1992-1427-0
Wiley ID 1377753