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7-{[(3,4-dihydro-2H-1,4-benzothiazin-4-yl)carbonyl]methyl}theophylline
SpectraBase Compound ID FHwaQ3WjfPU
InChI InChI=1S/C17H17N5O3S/c1-19-15-14(16(24)20(2)17(19)25)21(10-18-15)9-13(23)22-7-8-26-12-6-4-3-5-11(12)22/h3-6,10H,7-9H2,1-2H3
InChIKey WKHGHTUHGRPIKH-UHFFFAOYSA-N
Mol Weight 371.42 g/mol
Molecular Formula C17H17N5O3S
Exact Mass 371.105211 g/mol

Transmission Infrared (IR) Spectrum

Transmission Infrared (IR) Spectrum

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SpectraBase Spectrum ID LT4HwDBpRn7
Name 7-{[(3,4-DIHYDRO-2H-1,4-BENZOTHIAZIN-4-YL)CARBONYL]METHYL}THEOPHYLLINE
Source of Sample R. N. Prasad, Abbott Laboratories, Ltd., Montreal, Canada
Copyright Copyright © 1980, 1981-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C17H17N5O3S
InChI InChI=1S/C17H17N5O3S/c1-19-15-14(16(24)20(2)17(19)25)21(10-18-15)9-13(23)22-7-8-26-12-6-4-3-5-11(12)22/h3-6,10H,7-9H2,1-2H3
InChIKey WKHGHTUHGRPIKH-UHFFFAOYSA-N
Literature Reference JMCH 12, 290(1969)
Melting Point 201-203C
Molecular Weight 371.415009
Synonyms PURINE-2,6/1H,3H/-DIONE, 7-///3,4- DIHYDRO-2H-1,4-BENZOTHIAZIN-4-YL/CAR- BONYL/METHYL/-1,3-DIMETHYL-, THEOPHYLLINE, 7-///3,4-DIHYDRO-2H- 1,4-BENZOTHIAZIN-4-YL/CARBONYL/- METHYL/-,
Technique KBr WAFER