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2,6-ditert-butyl-4-[3-(propylsulfanyl)-6,7-dihydro[1,2,4]triazino[5,6-d][3,1]benzoxazepin-6-yl]phenol
SpectraBase Compound ID 3Ink2uWRauk
InChI InChI=1S/C27H34N4O2S/c1-8-13-34-25-29-24-21(30-31-25)17-11-9-10-12-20(17)28-23(33-24)16-14-18(26(2,3)4)22(32)19(15-16)27(5,6)7/h9-12,14-15,23,28,32H,8,13H2,1-7H3
InChIKey JNDOCUSDIZIVDR-UHFFFAOYSA-N
Mol Weight 478.7 g/mol
Molecular Formula C27H34N4O2S
Exact Mass 478.240248 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 5s7tUroDahd
Name 2,6-ditert-butyl-4-[3-(propylsulfanyl)-6,7-dihydro[1,2,4]triazino[5,6-d][3,1]benzoxazepin-6-yl]phenol
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/C27H34N4O2S/c1-8-13-34-25-29-24-21(30-31-25)17-11-9-10-12-20(17)28-23(33-24)16-14-18(26(2,3)4)22(32)19(15-16)27(5,6)7/h9-12,14-15,23,28,32H,8,13H2,1-7H3
InChIKey JNDOCUSDIZIVDR-UHFFFAOYSA-N
NMR Offset 15.5012
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UBI_21270_642
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/6196897; UBI_ID: UBI-000643
Temperature 315 °C