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2-[(7-allyl-1,3-dimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl)sulfanyl]-N-(tert-butyl)acetamide
SpectraBase Compound ID JWQPp1f7p0j
InChI InChI=1S/C16H23N5O3S/c1-7-8-21-11-12(19(5)15(24)20(6)13(11)23)17-14(21)25-9-10(22)18-16(2,3)4/h7H,1,8-9H2,2-6H3,(H,18,22)
InChIKey DJTLHSKNGOSPGN-UHFFFAOYSA-N
Mol Weight 365.45 g/mol
Molecular Formula C16H23N5O3S
Exact Mass 365.152161 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 3tTk1xvIkeS
Name 2-[(7-allyl-1,3-dimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl)sulfanyl]-N-(tert-butyl)acetamide
Author A.V.Yarkov, IPAC, Russia
Copyright Copyright © 2016-2024 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2016-2021 John Wiley & Sons, Inc. All Rights Reserved.
InChI InChI=1S/C16H23N5O3S/c1-7-8-21-11-12(19(5)15(24)20(6)13(11)23)17-14(21)25-9-10(22)18-16(2,3)4/h7H,1,8-9H2,2-6H3,(H,18,22)
InChIKey DJTLHSKNGOSPGN-UHFFFAOYSA-N
NMR Offset 15.449
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_35532
Owner Copyright (C) 2016 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright (C) 2016 John Wiley & Sons, Inc.
Sample State soluted
Solvent DMSO-d6
Source File Reference VendorID: E91186; SBI_ID: SBI-035536
Temperature 308 °C