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N,1-bis(4-methoxyphenyl)-4-(4-methylphenyl)-5,6,7,8-tetrahydro-2a,4a-diazacyclopenta[cd]azulene-2-carbothioamide
SpectraBase Compound ID 8Atm0FMtNnv
InChI InChI=1S/C32H31N3O2S/c1-21-7-9-22(10-8-21)28-20-35-30(31(38)33-24-13-17-26(37-3)18-14-24)29(23-11-15-25(36-2)16-12-23)27-6-4-5-19-34(28)32(27)35/h7-18,20H,4-6,19H2,1-3H3,(H,33,38)
InChIKey YKPRXGQAHANBTN-UHFFFAOYSA-N
Mol Weight 521.7 g/mol
Molecular Formula C32H31N3O2S
Exact Mass 521.213698 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 4KgKVqBoSQQ
Name N,1-bis(4-methoxyphenyl)-4-(4-methylphenyl)-5,6,7,8-tetrahydro-2a,4a-diazacyclopenta[cd]azulene-2-carbothioamide
Author A.V.Yarkov, IPAC, Russia
Copyright Copyright © 2016-2025 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2016-2025 John Wiley & Sons, Inc. All Rights Reserved.
InChI InChI=1S/C32H31N3O2S/c1-21-7-9-22(10-8-21)28-20-35-30(31(38)33-24-13-17-26(37-3)18-14-24)29(23-11-15-25(36-2)16-12-23)27-6-4-5-19-34(28)32(27)35/h7-18,20H,4-6,19H2,1-3H3,(H,33,38)
InChIKey YKPRXGQAHANBTN-UHFFFAOYSA-N
NMR Offset 17.1563
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_368
Owner Copyright (C) 2016 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright (C) 2016 John Wiley & Sons, Inc.
Sample State soluted
Solvent DMSO-d6
Source File Reference VendorID: C29334; Labnumber: DEMTC-330; SBI_ID: SBI-000370
Temperature 308 °C