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acetamide, 2-[(5-nitro-1H-benzimidazol-2-yl)thio]-N-(2-tricyclo[3.3.1.1~3,7~]dec-1-ylethyl)-
SpectraBase Compound ID 2wwmEl1qCKp
InChI InChI=1S/C21H26N4O3S/c26-19(12-29-20-23-17-2-1-16(25(27)28)8-18(17)24-20)22-4-3-21-9-13-5-14(10-21)7-15(6-13)11-21/h1-2,8,13-15H,3-7,9-12H2,(H,22,26)(H,23,24)/t13-,14+,15-,21+
InChIKey PVOITDLITZQQCU-CKPNERPTSA-N
Mol Weight 414.52 g/mol
Molecular Formula C21H26N4O3S
Exact Mass 414.172562 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID E4LrPOCDsrr
Name acetamide, 2-[(5-nitro-1H-benzimidazol-2-yl)thio]-N-(2-tricyclo[3.3.1.1~3,7~]dec-1-ylethyl)-
Copyright Copyright © 2022-2024 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2022-2024 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 414.172561884 u
Formula C21H26N4O3S
InChI InChI=1S/C21H26N4O3S/c26-19(12-29-20-23-17-2-1-16(25(27)28)8-18(17)24-20)22-4-3-21-9-13-5-14(10-21)7-15(6-13)11-21/h1-2,8,13-15H,3-7,9-12H2,(H,22,26)(H,23,24)/t13-,14+,15-,21+
InChIKey PVOITDLITZQQCU-CKPNERPTSA-N
Molecular Weight 414.524 g/mol
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Sample State Soluted
Sample_ID 1H_CB_2017_18358
Solvent DMSO-d6
Source Vendor ID: NMR/11220791; Lab Info: KTS; Lab Number: KTS-0103018