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N-benzyl-9-methyl-11-sulfanylidene-8-oxa-10,12-diazatricyclo[7.3.1.0²,⁷]trideca-2,4,6-triene-13-carboxamide
SpectraBase Compound ID 44NSE97CZju
InChI InChI=1S/C19H19N3O2S/c1-19-15(17(23)20-11-12-7-3-2-4-8-12)16(21-18(25)22-19)13-9-5-6-10-14(13)24-19/h2-10,15-16H,11H2,1H3,(H,20,23)(H2,21,22,25)/t15?,16-,19+/m1/s1
InChIKey XTZQYSHCZWZFLX-KSBCIKQNSA-N
Mol Weight 353.44 g/mol
Molecular Formula C19H19N3O2S
Exact Mass 353.119798 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 4mCPPHDmqB9
Name N-benzyl-9-methyl-11-sulfanylidene-8-oxa-10,12-diazatricyclo[7.3.1.0²,⁷]trideca-2,4,6-triene-13-carboxamide
Copyright Copyright © 2022-2024 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2022-2024 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 353.119798036 u
Formula C19H19N3O2S
InChI InChI=1S/C19H19N3O2S/c1-19-15(17(23)20-11-12-7-3-2-4-8-12)16(21-18(25)22-19)13-9-5-6-10-14(13)24-19/h2-10,15-16H,11H2,1H3,(H,20,23)(H2,21,22,25)/t15?,16-,19+/m1/s1
InChIKey XTZQYSHCZWZFLX-KSBCIKQNSA-N
Molecular Weight 353.440 g/mol
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Sample State Soluted
Sample_ID 1H_CB_2017_13579
Solvent DMSO-d6
Source Vendor ID: ZI/10011451; Lab Info: FG; Lab Number: YaF-3-032