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2-(6-Amino-9H-purin-8-ylsulfanyl)-N-furan-2-ylmethyl-acetamide

View entire compound with spectra: 1 NMR, and 1 MS (GC)

2-(6-Amino-9H-purin-8-ylsulfanyl)-N-furan-2-ylmethyl-acetamide
SpectraBase Compound ID 2MoMaIOx6S9
InChI InChI=1S/C12H12N6O2S/c13-10-9-11(16-6-15-10)18-12(17-9)21-5-8(19)14-4-7-2-1-3-20-7/h1-3,6H,4-5H2,(H,14,19)(H3,13,15,16,17,18)
InChIKey XFKWLRUSFJCSSS-UHFFFAOYSA-N
Mol Weight 304.33 g/mol
Molecular Formula C12H12N6O2S
Exact Mass 304.074245 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID DrjIdT0PEv5
Name acetamide, 2-[(6-amino-9H-purin-8-yl)thio]-N-(2-furanylmethyl)-
Copyright Copyright © 2022-2024 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2022-2024 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 304.074244822 u
Formula C12H12N6O2S
InChI InChI=1S/C12H12N6O2S/c13-10-9-11(16-6-15-10)18-12(17-9)21-5-8(19)14-4-7-2-1-3-20-7/h1-3,6H,4-5H2,(H,14,19)(H3,13,15,16,17,18)
InChIKey XFKWLRUSFJCSSS-UHFFFAOYSA-N
Molecular Weight 304.328 g/mol
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Sample State Soluted
Sample_ID 1H_CB_2017_15857
Solvent DMSO-d6
Source Vendor ID: NMR/11221058; Lab Info: JSA; Lab Number: JSA-0000327