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9-(5-O-Benzoyl-3-ethenyl-2-deoxy-.beta.D-erythro-pentofuranosyl)adenine
SpectraBase Compound ID DLUd6P8nd6
InChI InChI=1S/C19H17N5O4/c1-2-19(26)8-14(24-11-23-15-16(20)21-10-22-17(15)24)28-13(19)9-27-18(25)12-6-4-3-5-7-12/h1,3-7,10-11,13-14,26H,8-9H2,(H2,20,21,22)
InChIKey DJKIPLRRDLGWDD-UHFFFAOYSA-N
Mol Weight 379.38 g/mol
Molecular Formula C19H17N5O4
Exact Mass 379.128054 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 7Z10sx8DPrk
Name 9-(5-O-Benzoyl-3-ethenyl-2-deoxy-.beta.D-erythro-pentofuranosyl)adenine
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C19H17N5O4
InChI InChI=1S/C19H17N5O4/c1-2-19(26)8-14(24-11-23-15-16(20)21-10-22-17(15)24)28-13(19)9-27-18(25)12-6-4-3-5-7-12/h1,3-7,10-11,13-14,26H,8-9H2,(H2,20,21,22)
InChIKey DJKIPLRRDLGWDD-UHFFFAOYSA-N
Molecular Weight 379.376 g/mol
SMILES Nc1c2c([n](C3CC(C(O3)COC(=O)c3ccccc3)(C#C)O)cn2)ncn1
SPLASH splash10-004i-0089000000-be33644fbb36e7747fde
Source of Spectrum J-62-8313-10
Wiley ID 1359222