For citations & permissions, please see: Citations & Permissions - Wiley Science Solutions*

*Links on SpectraBase are not permalinks.
4-[2-(2-amino-4-keto-1,7-dihydropyrrolo[2,3-d]pyrimidin-6-yl)ethyl]benzoic acid
SpectraBase Compound ID LIHehLiD119
InChI InChI=1S/C15H14N4O3/c16-15-18-12-11(13(20)19-15)7-10(17-12)6-3-8-1-4-9(5-2-8)14(21)22/h1-2,4-5,7H,3,6H2,(H,21,22)(H4,16,17,18,19,20)
InChIKey TXBJLEYCMGNMNK-UHFFFAOYSA-N
Mol Weight 298.3 g/mol
Molecular Formula C15H14N4O3
Exact Mass 298.10659 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

View the Full Spectrum for FREE!

The full spectrum can only be viewed using a FREE account.

SpectraBase Spectrum ID 6r7kO3ff1ja
Name 4-[2-(2-amino-4-keto-1,7-dihydropyrrolo[2,3-d]pyrimidin-6-yl)ethyl]benzoic acid
Alternate Name(s) 4-[2-(2-amino-4-oxo-1,7-dihydropyrrolo[2,3-d]pyrimidin-6-yl)ethyl]benzoic acid 4-[2-(2-azanyl-4-oxidanylidene-1,7-dihydropyrrolo[2,3-d]pyrimidin-6-yl)ethyl]benzoic acid
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C15H14N4O3
InChI InChI=1S/C15H14N4O3/c16-15-18-12-11(13(20)19-15)7-10(17-12)6-3-8-1-4-9(5-2-8)14(21)22/h1-2,4-5,7H,3,6H2,(H,21,22)(H4,16,17,18,19,20)
InChIKey TXBJLEYCMGNMNK-UHFFFAOYSA-N
Molecular Weight 298.302 g/mol
SMILES N1C(c2c(N=C1N)[nH]c(c2)CCc1ccc(C(=O)O)cc1)=O
SPLASH splash10-03di-0910000000-6671940f4cf35293eeec
Source of Spectrum H1-36-1905-21
Wiley ID 755446