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tricyclo[3.3.1.1~3,7~]decane-1-carboxamide, N-[3-[[2-[(1-phenyl-1H-tetrazol-5-yl)thio]acetyl]amino]phenyl]-
SpectraBase Compound ID Lmwk9C5cCtz
InChI InChI=1S/C26H28N6O2S/c33-23(16-35-25-29-30-31-32(25)22-7-2-1-3-8-22)27-20-5-4-6-21(12-20)28-24(34)26-13-17-9-18(14-26)11-19(10-17)15-26/h1-8,12,17-19H,9-11,13-16H2,(H,27,33)(H,28,34)/t17-,18+,19-,26-
InChIKey BIAFLOPRZGVOMZ-MCTDJQMZSA-N
Mol Weight 488.61 g/mol
Molecular Formula C26H28N6O2S
Exact Mass 488.199445 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 8Dax8FhxjMJ
Name tricyclo[3.3.1.1~3,7~]decane-1-carboxamide, N-[3-[[2-[(1-phenyl-1H-tetrazol-5-yl)thio]acetyl]amino]phenyl]-
Copyright Copyright © 2022-2024 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2022-2024 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 488.199445338 u
Formula C26H28N6O2S
InChI InChI=1S/C26H28N6O2S/c33-23(16-35-25-29-30-31-32(25)22-7-2-1-3-8-22)27-20-5-4-6-21(12-20)28-24(34)26-13-17-9-18(14-26)11-19(10-17)15-26/h1-8,12,17-19H,9-11,13-16H2,(H,27,33)(H,28,34)/t17-,18+,19-,26-
InChIKey BIAFLOPRZGVOMZ-MCTDJQMZSA-N
Molecular Weight 488.610 g/mol
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Sample State Soluted
Sample_ID 1H_CB_2017_14291
Solvent DMSO-d6
Source Vendor ID: NMR/10322313; Lab Info: KTS; Lab Number: KTS-0000837