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1,2-Propanediol, 3-(1H-purin-6-ylamino)-
SpectraBase Compound ID 6LrESgsl6n0
InChI InChI=1S/C8H11N5O2/c14-2-5(15)1-9-7-6-8(11-3-10-6)13-4-12-7/h3-5,14-15H,1-2H2,(H2,9,10,11,12,13)
InChIKey MUMXGOKVFMRWDN-UHFFFAOYSA-N
Mol Weight 209.21 g/mol
Molecular Formula C8H11N5O2
Exact Mass 209.091275 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Cq354RgRayt
Name 1,2-Propanediol, 3-(1H-purin-6-ylamino)-
Alternate Name(s) 1,2-Propanediol, 3-(purin-6-ylamino)- 3-(1H-purin-6-ylamino)-1,2-propanediol N6-(2,3-dihydroxypropyl)adenine
CAS Registry Number 31636-45-0
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C8H11N5O2
InChI InChI=1S/C8H11N5O2/c14-2-5(15)1-9-7-6-8(11-3-10-6)13-4-12-7/h3-5,14-15H,1-2H2,(H2,9,10,11,12,13)
InChIKey MUMXGOKVFMRWDN-UHFFFAOYSA-N
Molecular Weight 209.209 g/mol
SMILES N1C=NC=2C(=C1NCC(CO)O)N=CN2
SPLASH splash10-0092-4910000000-c61e6f5b504317f7db97
Source of Spectrum JL-7-319-2
Wiley ID 1207878