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N-[4-(5-sec-butyl-1,3-benzoxazol-2-yl)phenyl]-N'-[(2-isopropyl-5-methylphenoxy)acetyl]thiourea
SpectraBase Compound ID GwA04dHzXS
InChI InChI=1S/C30H33N3O3S/c1-6-20(5)22-10-14-26-25(16-22)32-29(36-26)21-8-11-23(12-9-21)31-30(37)33-28(34)17-35-27-15-19(4)7-13-24(27)18(2)3/h7-16,18,20H,6,17H2,1-5H3,(H2,31,33,34,37)
InChIKey VNAFQFBMBAZWKX-UHFFFAOYSA-N
Mol Weight 515.7 g/mol
Molecular Formula C30H33N3O3S
Exact Mass 515.224263 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID GJCLbJIu3LM
Name N-[4-(5-sec-butyl-1,3-benzoxazol-2-yl)phenyl]-N'-[(2-isopropyl-5-methylphenoxy)acetyl]thiourea
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/C30H33N3O3S/c1-6-20(5)22-10-14-26-25(16-22)32-29(36-26)21-8-11-23(12-9-21)31-30(37)33-28(34)17-35-27-15-19(4)7-13-24(27)18(2)3/h7-16,18,20H,6,17H2,1-5H3,(H2,31,33,34,37)
InChIKey VNAFQFBMBAZWKX-UHFFFAOYSA-N
NMR Offset 15.3537
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_2623
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: D03781; Labnumber: SPMOS1-30782; SBI_ID: SBI-002625
Temperature 308 °C