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caprylic acid (5-adenin-9-yl-3,4-dihydroxy-tetrahydrofuran-2-yl)methyl ester
SpectraBase Compound ID 2mB0dRKsa0r
InChI InChI=1S/C18H27N5O5/c1-2-3-4-5-6-7-12(24)27-8-11-14(25)15(26)18(28-11)23-10-22-13-16(19)20-9-21-17(13)23/h9-11,14-15,18,25-26H,2-8H2,1H3,(H2,19,20,21)
InChIKey GNYFNLGMSBCRCL-UHFFFAOYSA-N
Mol Weight 393.44 g/mol
Molecular Formula C18H27N5O5
Exact Mass 393.201219 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 6gVbsCL3M6w
Name caprylic acid (5-adenin-9-yl-3,4-dihydroxy-tetrahydrofuran-2-yl)methyl ester
Alternate Name(s) [5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methyl octanoate [5-(6-aminopurin-9-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methyl octanoate [5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl octanoate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C18H27N5O5
InChI InChI=1S/C18H27N5O5/c1-2-3-4-5-6-7-12(24)27-8-11-14(25)15(26)18(28-11)23-10-22-13-16(19)20-9-21-17(13)23/h9-11,14-15,18,25-26H,2-8H2,1H3,(H2,19,20,21)
InChIKey GNYFNLGMSBCRCL-UHFFFAOYSA-N
Molecular Weight 393.444 g/mol
SMILES OC1C(OC(C1O)[n]1c2c(c(N)ncn2)nc1)COC(=O)CCCCCCC
SPLASH splash10-03dr-0900000000-e410a9efa8e94f0a278e
Source of Spectrum J-58-660-7
Wiley ID 1366196