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1H-pyrido[4,3-b]indole, 5-[[[1-(2-fluorophenyl)-1H-tetrazol-5-yl]thio]acetyl]-2,3,4,4a,5,9b-hexahydro-2,8-dimethyl-
SpectraBase Compound ID 4blrxNQnew7
InChI InChI=1S/C22H23FN6OS/c1-14-7-8-18-15(11-14)16-12-27(2)10-9-19(16)28(18)21(30)13-31-22-24-25-26-29(22)20-6-4-3-5-17(20)23/h3-8,11,16,19H,9-10,12-13H2,1-2H3
InChIKey WTMJMTUMNVSBTJ-UHFFFAOYSA-N
Mol Weight 438.53 g/mol
Molecular Formula C22H23FN6OS
Exact Mass 438.163809 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID LMp29f5MkZS
Name 1H-pyrido[4,3-b]indole, 5-[[[1-(2-fluorophenyl)-1H-tetrazol-5-yl]thio]acetyl]-2,3,4,4a,5,9b-hexahydro-2,8-dimethyl-
Copyright Copyright © 2022-2024 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2022-2024 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 438.163808721 u
Formula C22H23FN6OS
InChI InChI=1S/C22H23FN6OS/c1-14-7-8-18-15(11-14)16-12-27(2)10-9-19(16)28(18)21(30)13-31-22-24-25-26-29(22)20-6-4-3-5-17(20)23/h3-8,11,16,19H,9-10,12-13H2,1-2H3
InChIKey WTMJMTUMNVSBTJ-UHFFFAOYSA-N
Molecular Weight 438.525 g/mol
NMR Offset 17.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Sample State Soluted
Sample_ID 1H_CB_2017_5022
Solvent DMSO-d6
Source Vendor ID: ZI/9068666; Lab Info: SAD; Lab Number: SAD-EXCO029