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8-Chlorotheophylline ET
SpectraBase Compound ID GJCUIitpIpn
InChI InChI=1S/C9H11ClN4O2/c1-4-14-5-6(11-8(14)10)12(2)9(16)13(3)7(5)15/h4H2,1-3H3
InChIKey YNXZXEOEAYULHC-UHFFFAOYSA-N
Mol Weight 242.67 g/mol
Molecular Formula C9H11ClN4O2
Exact Mass 242.057053 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID Jf4ZNdb4y1s
Name 1H-purine-2,6-dione, 8-chloro-7-ethyl-3,7-dihydro-1,3-dimethyl-
Copyright Copyright © 2022-2024 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2022-2024 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 242.057053308 u
Formula C9H11ClN4O2
InChI InChI=1S/C9H11ClN4O2/c1-4-14-5-6(11-8(14)10)12(2)9(16)13(3)7(5)15/h4H2,1-3H3
InChIKey YNXZXEOEAYULHC-UHFFFAOYSA-N
Molecular Weight 242.666 g/mol
NMR Offset 17.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Sample State Soluted
Sample_ID 1H_CB_2017_6566
Solvent DMSO-d6
Source Vendor ID: NMR/9244695; Lab Info: LP; Lab Number: LP-3701012