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3-Adamantan-1-yl-6-amino-4-thiophen-2-yl-1,4-dihydro-pyrano[2,3-c]pyrazole-5-carbonitrile
SpectraBase Compound ID 2mcd6jRBUGu
InChI InChI=1S/C21H22N4OS/c22-10-14-16(15-2-1-3-27-15)17-18(24-25-20(17)26-19(14)23)21-7-11-4-12(8-21)6-13(5-11)9-21/h1-3,11-13,16H,4-9,23H2,(H,24,25)/t11-,12+,13-,16?,21-
InChIKey NOTKSEJHYGNNOT-ZVTGRLGBSA-N
Mol Weight 378.49 g/mol
Molecular Formula C21H22N4OS
Exact Mass 378.151433 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 6O9QgFcYexu
Name pyrano[2,3-c]pyrazole-5-carbonitrile, 6-amino-1,4-dihydro-4-(2-thienyl)-3-tricyclo[3.3.1.1~3,7~]dec-1-yl-
Copyright Copyright © 2022-2024 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2022-2024 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 378.151432517 u
Formula C21H22N4OS
InChI InChI=1S/C21H22N4OS/c22-10-14-16(15-2-1-3-27-15)17-18(24-25-20(17)26-19(14)23)21-7-11-4-12(8-21)6-13(5-11)9-21/h1-3,11-13,16H,4-9,23H2,(H,24,25)/t11-,12+,13-,16?,21-
InChIKey NOTKSEJHYGNNOT-ZVTGRLGBSA-N
Molecular Weight 378.494 g/mol
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Sample State Soluted
Sample_ID 1H_CB_2017_14988
Solvent DMSO-d6
Source Vendor ID: NMR/10320548; Lab Info: VUR; Lab Number: VUR-01012505