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acetic acid, [(5-propyl-5H-[1,2,4]triazino[5,6-b]indol-3-yl)thio]-,ethyl ester
SpectraBase Compound ID 5wnMB0BQHAv
InChI InChI=1S/C16H18N4O2S/c1-3-9-20-12-8-6-5-7-11(12)14-15(20)17-16(19-18-14)23-10-13(21)22-4-2/h5-8H,3-4,9-10H2,1-2H3
InChIKey WCXLIVSVYCFWCX-UHFFFAOYSA-N
Mol Weight 330.41 g/mol
Molecular Formula C16H18N4O2S
Exact Mass 330.115047 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 1B2Da8KbGQL
Name acetic acid, [(5-propyl-5H-[1,2,4]triazino[5,6-b]indol-3-yl)thio]-,ethyl ester
Copyright Copyright © 2022-2024 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2022-2024 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 330.115047008 u
Formula C16H18N4O2S
InChI InChI=1S/C16H18N4O2S/c1-3-9-20-12-8-6-5-7-11(12)14-15(20)17-16(19-18-14)23-10-13(21)22-4-2/h5-8H,3-4,9-10H2,1-2H3
InChIKey WCXLIVSVYCFWCX-UHFFFAOYSA-N
Molecular Weight 330.406 g/mol
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Sample State Soluted
Sample_ID 1H_CB_2017_1217
Solvent DMSO-d6
Source Vendor ID: ZI/8155820; Lab Info: L-19,Kulikov; Lab Number: L-19/0006393