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7-(2,3-Dihydroxypropyl)theophylline

View entire compound with spectra: 1 NMR, 5 FTIR, 1 Raman, and 14 MS (GC)

7-(2,3-Dihydroxypropyl)theophylline
SpectraBase Compound ID LWEC9ecvoJC
InChI InChI=1S/C10H14N4O4/c1-12-8-7(9(17)13(2)10(12)18)14(5-11-8)3-6(16)4-15/h5-6,15-16H,3-4H2,1-2H3
InChIKey KSCFJBIXMNOVSH-UHFFFAOYSA-N
Mol Weight 254.25 g/mol
Molecular Formula C10H14N4O4
Exact Mass 254.101505 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Bpppzp79zCE
Name DIPROPHYLLINE
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C10H14N4O4
InChI InChI=1S/C10H14N4O4/c1-12-8-7(9(17)13(2)10(12)18)14(5-11-8)3-6(16)4-15/h5-6,15-16H,3-4H2,1-2H3
InChIKey KSCFJBIXMNOVSH-UHFFFAOYSA-N
Instrument Name GC
Molecular Weight 254.246 g/mol
SMILES OCC(O)C[n]1cnc2N(C)C(=O)N(C)C(=O)c12
SPLASH splash10-007o-7920000000-b2e8a9cc31393023087c
Source of Spectrum Chemical Concepts, A Wiley Division, Weinheim, Germany