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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

Raman Spectrum

Raman Spectrum

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SpectraBase Spectrum ID K33gMXmZKOI
Name 7-(2,3-Dihydroxypropyl)theophylline
Catalog Number D119407
Brand ALDRICH
CAS Registry Number 479-18-5
Copyright Copyright © 2017-2024 Sigma-Aldrich Co. LLC. - Database Compilation Copyright © 2017-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C10H14N4O4
Formula (reported) 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
Purity 99%
Wiley ID SIAL_RAMAN_003817