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methyl 4-{10-[(ethylamino)carbothioyl]-3,3-dimethyl-1-oxo-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-11-yl}benzoate
SpectraBase Compound ID 8VnxehImq2I
InChI InChI=1S/C26H29N3O3S/c1-5-27-25(33)29-20-9-7-6-8-18(20)28-19-14-26(2,3)15-21(30)22(19)23(29)16-10-12-17(13-11-16)24(31)32-4/h6-13,23,28H,5,14-15H2,1-4H3,(H,27,33)
InChIKey KQKQWAMHRGXWTD-UHFFFAOYSA-N
Mol Weight 463.6 g/mol
Molecular Formula C26H29N3O3S
Exact Mass 463.192963 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID EfyZHQsGvOO
Name methyl 4-{10-[(ethylamino)carbothioyl]-3,3-dimethyl-1-oxo-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-11-yl}benzoate
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/C26H29N3O3S/c1-5-27-25(33)29-20-9-7-6-8-18(20)28-19-14-26(2,3)15-21(30)22(19)23(29)16-10-12-17(13-11-16)24(31)32-4/h6-13,23,28H,5,14-15H2,1-4H3,(H,27,33)
InChIKey KQKQWAMHRGXWTD-UHFFFAOYSA-N
NMR Offset 15.328
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_29088
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: D91244; Labnumber: VGU-0022703; SBI_ID: SBI-029092
Temperature 318 °C