For citations & permissions, please see: Citations & Permissions - Wiley Science Solutions*

*Links on SpectraBase are not permalinks.

9-{3-[(1,3-benzoxazol-2-ylsulfanyl)methyl]-4-methoxyphenyl}-3,3,6,6-tetramethyl-3,4,5,6,7,9-hexahydro-1H-xanthene-1,8(2H)-dione

View entire compound with spectra: 1 NMR

9-{3-[(1,3-benzoxazol-2-ylsulfanyl)methyl]-4-methoxyphenyl}-3,3,6,6-tetramethyl-3,4,5,6,7,9-hexahydro-1H-xanthene-1,8(2H)-dione
SpectraBase Compound ID LfE2BD0mYS5
InChI InChI=1S/C32H33NO5S/c1-31(2)13-21(34)28-25(15-31)37-26-16-32(3,4)14-22(35)29(26)27(28)18-10-11-23(36-5)19(12-18)17-39-30-33-20-8-6-7-9-24(20)38-30/h6-12,27H,13-17H2,1-5H3
InChIKey AJBNPDFIBHSAMD-UHFFFAOYSA-N
Mol Weight 543.7 g/mol
Molecular Formula C32H33NO5S
Exact Mass 543.207944 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

View the Full Spectrum for FREE!

The full spectrum can only be viewed using a FREE account.

SpectraBase Spectrum ID Jn6if0Ep5cu
Name 9-{3-[(1,3-benzoxazol-2-ylsulfanyl)methyl]-4-methoxyphenyl}-3,3,6,6-tetramethyl-3,4,5,6,7,9-hexahydro-1H-xanthene-1,8(2H)-dione
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/C32H33NO5S/c1-31(2)13-21(34)28-25(15-31)37-26-16-32(3,4)14-22(35)29(26)27(28)18-10-11-23(36-5)19(12-18)17-39-30-33-20-8-6-7-9-24(20)38-30/h6-12,27H,13-17H2,1-5H3
InChIKey AJBNPDFIBHSAMD-UHFFFAOYSA-N
NMR Offset 15.328
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UBI_21270_10019
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: 9283726; UBI_ID: UBI-010022
Temperature 318 °C