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4-[2-(2-Amino-4,7-dihydro-4-oxo-3H-pyrrolo[2,3-d]pyrimidin-5-yl)ethyl]benzoic acid hydrate
SpectraBase Compound ID A1WHFuvhm3D
InChI InChI=1S/C15H17N5O2.H2O/c16-12-11-10(7-18-13(11)20-15(17)19-12)6-3-8-1-4-9(5-2-8)14(21)22;/h1-2,4-5,7,11,13,18H,3,6H2,(H,21,22)(H4,16,17,19,20);1H2
InChIKey ITNCLBYAJVMDFA-UHFFFAOYSA-N
Mol Weight 317.35 g/mol
Molecular Formula C15H19N5O3
Exact Mass 317.148789 g/mol

Transmission Infrared (IR) Spectrum

Transmission Infrared (IR) Spectrum

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SpectraBase Spectrum ID CPE0IqssAOu
Name 4-[2-(2-Amino-4,7-dihydro-4-oxo-3H-pyrrolo[2,3-d]pyrimidin-5-yl)ethyl]benzoic acid hydrate
Source of Sample TCI Chemicals India Pvt. Ltd.
Catalog Number A2618
Lot Number SP8JF-PH
CAS Registry Number 137281-39-1
Copyright Copyright © 2015-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C15H19N5O3
InChI InChI=1S/C15H17N5O2.H2O/c16-12-11-10(7-18-13(11)20-15(17)19-12)6-3-8-1-4-9(5-2-8)14(21)22;/h1-2,4-5,7,11,13,18H,3,6H2,(H,21,22)(H4,16,17,19,20);1H2
InChIKey ITNCLBYAJVMDFA-UHFFFAOYSA-N
Instrument Name Bruker Tensor 27 FT-IR
Physical State Solid
Purity >98%
Sample Type Organic
Source of Spectrum Bio-Rad Laboratories, Inc.
Synonyms 2-Amino-4,7-dihydro-5-[2-[4-(carboxy)phenyl]ethyl]-4-oxo-3H-pyrrolo[2,3-d]pyrimidine hydrate
Technique KBr1