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acetamide, 2-[(1-phenyl-1H-tetrazol-5-yl)thio]-N-[2-(tricyclo[3.3.1.1~3,7~]dec-1-yloxy)ethyl]-
SpectraBase Compound ID 8XD83fgxpMh
InChI InChI=1S/C21H27N5O2S/c27-19(14-29-20-23-24-25-26(20)18-4-2-1-3-5-18)22-6-7-28-21-11-15-8-16(12-21)10-17(9-15)13-21/h1-5,15-17H,6-14H2,(H,22,27)/t15-,16+,17-,21-
InChIKey KJMQLIQPLQBCNG-YFHKMKNMSA-N
Mol Weight 413.54 g/mol
Molecular Formula C21H27N5O2S
Exact Mass 413.188546 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 9wZSZIpmf8z
Name acetamide, 2-[(1-phenyl-1H-tetrazol-5-yl)thio]-N-[2-(tricyclo[3.3.1.1~3,7~]dec-1-yloxy)ethyl]-
Copyright Copyright © 2022-2024 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2022-2024 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 413.188546301 u
Formula C21H27N5O2S
InChI InChI=1S/C21H27N5O2S/c27-19(14-29-20-23-24-25-26(20)18-4-2-1-3-5-18)22-6-7-28-21-11-15-8-16(12-21)10-17(9-15)13-21/h1-5,15-17H,6-14H2,(H,22,27)/t15-,16+,17-,21-
InChIKey KJMQLIQPLQBCNG-YFHKMKNMSA-N
Molecular Weight 413.540 g/mol
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Sample State Soluted
Sample_ID 1H_CB_2017_18254
Solvent DMSO-d6
Source Vendor ID: NMR/11220806; Lab Info: KTS; Lab Number: KTS-0103040