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5-{[(4,6,7-trimethyl-2-quinazolinyl)sulfanyl]acetyl}-10,11-dihydro-5H-dibenzo[b,f]azepine
SpectraBase Compound ID HKWnoxWfD0K
InChI InChI=1S/C27H25N3OS/c1-17-14-22-19(3)28-27(29-23(22)15-18(17)2)32-16-26(31)30-24-10-6-4-8-20(24)12-13-21-9-5-7-11-25(21)30/h4-11,14-15H,12-13,16H2,1-3H3
InChIKey MPQOQPOQDUJFBQ-UHFFFAOYSA-N
Mol Weight 439.58 g/mol
Molecular Formula C27H25N3OS
Exact Mass 439.171834 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 17uTB8I1DE4
Name 5-{[(4,6,7-trimethyl-2-quinazolinyl)sulfanyl]acetyl}-10,11-dihydro-5H-dibenzo[b,f]azepine
Author A.V.Yarkov, IPAC, Russia
Copyright Copyright © 2016-2024 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2016-2021 John Wiley & Sons, Inc. All Rights Reserved.
InChI InChI=1S/C27H25N3OS/c1-17-14-22-19(3)28-27(29-23(22)15-18(17)2)32-16-26(31)30-24-10-6-4-8-20(24)12-13-21-9-5-7-11-25(21)30/h4-11,14-15H,12-13,16H2,1-3H3
InChIKey MPQOQPOQDUJFBQ-UHFFFAOYSA-N
NMR Offset 15.449
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UBI-VK_18310_8042
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: 128356; Labnumber: VGU-15508; VK_ID: VK-008046
Synonyms 2-(10,11-dihydro-5H-dibenzo[b,f]azepin-5-yl)-2-oxoethyl 4,6,7-trimethyl-2-quinazolinyl sulfide
Temperature 308 °C