SpectraBase Compound ID | AvndL11nV2i |
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InChI | InChI=1S/C13H19N5O4/c1-5-8(6-22-7(2)19)14-12-15-9-10(16-12)17(3)13(21)18(4)11(9)20/h8H,5-6H2,1-4H3,(H2,14,15,16) |
InChIKey | UJIBXGCMTPZSEL-UHFFFAOYSA-N |
Mol Weight | 309.33 g/mol |
Molecular Formula | C13H19N5O4 |
Exact Mass | 309.143704 g/mol |
SpectraBase Spectrum ID | 7kGrdG2NrTZ |
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Name | S-(-)-8-{[1-(hydroxymethyl)propyl]amino}theophylline, acetate (ester) |
Conditions | Neutral |
Copyright | Copyright © 2008-2024 John Wiley & Sons, Inc. All Rights Reserved. |
Formula | C13H19N5O4 |
InChI | InChI=1S/C13H19N5O4/c1-5-8(6-22-7(2)19)14-12-15-9-10(16-12)17(3)13(21)18(4)11(9)20/h8H,5-6H2,1-4H3,(H2,14,15,16) |
InChIKey | UJIBXGCMTPZSEL-UHFFFAOYSA-N |
Sadtler IR Number | 70963 |
Sadtler UV Number | 39593N |
Solvent | Methanol |