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3-(butylsulfanyl)-6-(3-thienyl)-6,7-dihydro[1,2,4]triazino[5,6-d][3,1]benzoxazepine
SpectraBase Compound ID E07KCF1DmlD
InChI InChI=1S/C18H18N4OS2/c1-2-3-9-25-18-20-17-15(21-22-18)13-6-4-5-7-14(13)19-16(23-17)12-8-10-24-11-12/h4-8,10-11,16,19H,2-3,9H2,1H3
InChIKey XJJQTPUCMQCJNL-UHFFFAOYSA-N
Mol Weight 370.49 g/mol
Molecular Formula C18H18N4OS2
Exact Mass 370.092204 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID FQ29Xt4Mveu
Name 3-(butylsulfanyl)-6-(3-thienyl)-6,7-dihydro[1,2,4]triazino[5,6-d][3,1]benzoxazepine
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/C18H18N4OS2/c1-2-3-9-25-18-20-17-15(21-22-18)13-6-4-5-7-14(13)19-16(23-17)12-8-10-24-11-12/h4-8,10-11,16,19H,2-3,9H2,1H3
InChIKey XJJQTPUCMQCJNL-UHFFFAOYSA-N
NMR Offset 15.449
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UBI_21270_3238
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: UZI/8081190; UBI_ID: UBI-003239
Synonyms butyl 6-(3-thienyl)-6,7-dihydro[1,2,4]triazino[5,6-d][3,1]benzoxazepin-3-yl sulfide
Temperature 308 °C