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3-(butylsulfanyl)-6-(4-chloro-3-nitrophenyl)-6,7-dihydro[1,2,4]triazino[5,6-d][3,1]benzoxazepine
SpectraBase Compound ID Imxqw7KLTuT
InChI InChI=1S/C20H18ClN5O3S/c1-2-3-10-30-20-23-19-17(24-25-20)13-6-4-5-7-15(13)22-18(29-19)12-8-9-14(21)16(11-12)26(27)28/h4-9,11,18,22H,2-3,10H2,1H3
InChIKey HBJDGJJIKNKOQG-UHFFFAOYSA-N
Mol Weight 443.91 g/mol
Molecular Formula C20H18ClN5O3S
Exact Mass 443.081888 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID BB0yuJWnkDN
Name 3-(butylsulfanyl)-6-(4-chloro-3-nitrophenyl)-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/C20H18ClN5O3S/c1-2-3-10-30-20-23-19-17(24-25-20)13-6-4-5-7-15(13)22-18(29-19)12-8-9-14(21)16(11-12)26(27)28/h4-9,11,18,22H,2-3,10H2,1H3
InChIKey HBJDGJJIKNKOQG-UHFFFAOYSA-N
NMR Offset 15.449
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UBI_21270_1923
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/8036515; UBI_ID: UBI-001924
Synonyms butyl 6-(4-chloro-3-nitrophenyl)-6,7-dihydro[1,2,4]triazino[5,6-d][3,1]benzoxazepin-3-yl sulfide
Temperature 308 °C