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6-(5-iodo-2-furyl)-3-(pentylsulfanyl)-6,7-dihydro[1,2,4]triazino[5,6-d][3,1]benzoxazepine
SpectraBase Compound ID LsXXNrElUoD
InChI InChI=1S/C19H19IN4O2S/c1-2-3-6-11-27-19-22-18-16(23-24-19)12-7-4-5-8-13(12)21-17(26-18)14-9-10-15(20)25-14/h4-5,7-10,17,21H,2-3,6,11H2,1H3
InChIKey ODNNVZWYHGWRLN-UHFFFAOYSA-N
Mol Weight 494.35 g/mol
Molecular Formula C19H19IN4O2S
Exact Mass 494.027342 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 5hhcOzehlu
Name 6-(5-iodo-2-furyl)-3-(pentylsulfanyl)-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/C19H19IN4O2S/c1-2-3-6-11-27-19-22-18-16(23-24-19)12-7-4-5-8-13(12)21-17(26-18)14-9-10-15(20)25-14/h4-5,7-10,17,21H,2-3,6,11H2,1H3
InChIKey ODNNVZWYHGWRLN-UHFFFAOYSA-N
NMR Offset 14.9921
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UBI_21270_3944
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/8106642; UBI_ID: UBI-003945
Synonyms 6-(5-iodo-2-furyl)-6,7-dihydro[1,2,4]triazino[5,6-d][3,1]benzoxazepin-3-yl pentyl sulfide
Temperature 313 °C