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(2E)-N-[4-(1-adamantyl)-1,3-thiazol-2-yl]-3-{3-[(4-bromophenoxy)methyl]-4-methoxyphenyl}-2-propenamide
SpectraBase Compound ID 8yltcvsIBD5
InChI InChI=1S/C30H31BrN2O3S/c1-35-26-8-2-19(13-23(26)17-36-25-6-4-24(31)5-7-25)3-9-28(34)33-29-32-27(18-37-29)30-14-20-10-21(15-30)12-22(11-20)16-30/h2-9,13,18,20-22H,10-12,14-17H2,1H3,(H,32,33,34)/b9-3+/t20-,21+,22-,30-
InChIKey QXXARVDVFXJBTO-IWGNATMDSA-N
Mol Weight 579.55 g/mol
Molecular Formula C30H31BrN2O3S
Exact Mass 578.123877 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID BOryLX3fqBZ
Name (2E)-N-[4-(1-adamantyl)-1,3-thiazol-2-yl]-3-{3-[(4-bromophenoxy)methyl]-4-methoxyphenyl}-2-propenamide
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/C30H31BrN2O3S/c1-35-26-8-2-19(13-23(26)17-36-25-6-4-24(31)5-7-25)3-9-28(34)33-29-32-27(18-37-29)30-14-20-10-21(15-30)12-22(11-20)16-30/h2-9,13,18,20-22H,10-12,14-17H2,1H3,(H,32,33,34)/b9-3+/t20-,21+,22-,30-
InChIKey QXXARVDVFXJBTO-IWGNATMDSA-N
NMR Offset 15.449
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UZI_26187_10199
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/1266129; Labnumber: JVT4206; UZI_ID: UZI-010201
Synonyms N-[4-(1-adamantyl)-1,3-thiazol-2-yl]-3-{3-[(4-bromophenoxy)methyl]-4-methoxyphenyl}-2-propenamide
Temperature 308 °C