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3,7-bis(hydroxymethyl)-1-methylxanthine, dipivalate (ester)
SpectraBase Compound ID 2aKZCaHpwyS
InChI InChI=1S/C18H26N4O6/c1-17(2,3)14(24)27-9-21-8-19-12-11(21)13(23)20(7)16(26)22(12)10-28-15(25)18(4,5)6/h8H,9-10H2,1-7H3
InChIKey BJNKRPNNVTXIDI-UHFFFAOYSA-N
Mol Weight 394.43 g/mol
Molecular Formula C18H26N4O6
Exact Mass 394.185235 g/mol

Transmission Infrared (IR) Spectrum

Transmission Infrared (IR) Spectrum

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SpectraBase Spectrum ID BLZ49O8U8fP
Name 3,7-BIS(HYDROXYMETHYL)-1-METHYLXANTHINE, DIPIVALATE (ESTER)
Source of Sample M. Hu, Syva Company, Palo Alto, California
Copyright Copyright © 1980, 1981-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C18H26N4O6
InChI InChI=1S/C18H26N4O6/c1-17(2,3)14(24)27-9-21-8-19-12-11(21)13(23)20(7)16(26)22(12)10-28-15(25)18(4,5)6/h8H,9-10H2,1-7H3
InChIKey BJNKRPNNVTXIDI-UHFFFAOYSA-N
Literature Reference J. ORG. CHEM. 45, 1711(1980) Abstract-Chemical Abstracts= 92, 198358(1980)
Melting Point 89-90C
Molecular Weight 394.428009
Synonyms XANTHINE, 3,7-BIS/HYDROXYMETHYL/- 1-METHYL-, DIPIVALATE /ESTER/
Technique KBr WAFER