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3-(methylsulfanyl)-6-[5-(2-nitrophenyl)-2-furyl]-6,7-dihydro[1,2,4]triazino[5,6-d][3,1]benzoxazepine
SpectraBase Compound ID G1VAXTlBH3w
InChI InChI=1S/C21H15N5O4S/c1-31-21-23-20-18(24-25-21)12-6-2-4-8-14(12)22-19(30-20)17-11-10-16(29-17)13-7-3-5-9-15(13)26(27)28/h2-11,19,22H,1H3
InChIKey WZBWMKAODQRXSI-UHFFFAOYSA-N
Mol Weight 433.44 g/mol
Molecular Formula C21H15N5O4S
Exact Mass 433.084475 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID UpYYksDHXX
Name 3-(methylsulfanyl)-6-[5-(2-nitrophenyl)-2-furyl]-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/C21H15N5O4S/c1-31-21-23-20-18(24-25-21)12-6-2-4-8-14(12)22-19(30-20)17-11-10-16(29-17)13-7-3-5-9-15(13)26(27)28/h2-11,19,22H,1H3
InChIKey WZBWMKAODQRXSI-UHFFFAOYSA-N
NMR Offset 14.9921
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UBI_21270_15708
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/8021968; UBI_ID: UBI-015711
Synonyms methyl 6-[5-(2-nitrophenyl)-2-furyl]-6,7-dihydro[1,2,4]triazino[5,6-d][3,1]benzoxazepin-3-yl sulfide
Temperature 313 °C