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acetamide, N-[2-[[2-[[4-(1-methylethyl)phenyl]amino]-2-oxoethyl]thio]-6-benzothiazolyl]-2-[(1-methyl-1H-tetrazol-5-yl)thio]-
SpectraBase Compound ID 2VMaLsdTl3C
InChI InChI=1S/C22H23N7O2S3/c1-13(2)14-4-6-15(7-5-14)23-20(31)12-33-22-25-17-9-8-16(10-18(17)34-22)24-19(30)11-32-21-26-27-28-29(21)3/h4-10,13H,11-12H2,1-3H3,(H,23,31)(H,24,30)
InChIKey UBCARAIKMWRDHP-UHFFFAOYSA-N
Mol Weight 513.65 g/mol
Molecular Formula C22H23N7O2S3
Exact Mass 513.107537 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 1M8z7pHshl1
Name acetamide, N-[2-[[2-[[4-(1-methylethyl)phenyl]amino]-2-oxoethyl]thio]-6-benzothiazolyl]-2-[(1-methyl-1H-tetrazol-5-yl)thio]-
Copyright Copyright © 2022-2024 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2022-2024 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 513.107536529 u
Formula C22H23N7O2S3
InChI InChI=1S/C22H23N7O2S3/c1-13(2)14-4-6-15(7-5-14)23-20(31)12-33-22-25-17-9-8-16(10-18(17)34-22)24-19(30)11-32-21-26-27-28-29(21)3/h4-10,13H,11-12H2,1-3H3,(H,23,31)(H,24,30)
InChIKey UBCARAIKMWRDHP-UHFFFAOYSA-N
Molecular Weight 513.653 g/mol
NMR Offset 15.0036
NMR Spectrometer Frequency 250.134
Observed nucleus 1H
Sample State Soluted
Sample_ID 1H_CB_2017_560
Solvent DMSO-d6
Source Vendor ID: ZI/8108359; Lab Info: LP; Lab Number: LP-0604528
Temperature 23.85 °C