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

*Links on SpectraBase are not permalinks.

benzoic acid, 4-[[[[5-[[4-(1,1-dimethylethyl)phenoxy]methyl]-4-phenyl-4H-1,2,4-triazol-3-yl]thio]acetyl]amino]-, methyl ester

View entire compound with spectra: 1 NMR

benzoic acid, 4-[[[[5-[[4-(1,1-dimethylethyl)phenoxy]methyl]-4-phenyl-4H-1,2,4-triazol-3-yl]thio]acetyl]amino]-, methyl ester
SpectraBase Compound ID CSXnyAd4A30
InChI InChI=1S/C29H30N4O4S/c1-29(2,3)21-12-16-24(17-13-21)37-18-25-31-32-28(33(25)23-8-6-5-7-9-23)38-19-26(34)30-22-14-10-20(11-15-22)27(35)36-4/h5-17H,18-19H2,1-4H3,(H,30,34)
InChIKey MMCKEDKASOCLIJ-UHFFFAOYSA-N
Mol Weight 530.64 g/mol
Molecular Formula C29H30N4O4S
Exact Mass 530.198777 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 eUep4TKEim
Name benzoic acid, 4-[[[[5-[[4-(1,1-dimethylethyl)phenoxy]methyl]-4-phenyl-4H-1,2,4-triazol-3-yl]thio]acetyl]amino]-, methyl ester
Copyright Copyright © 2022-2024 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2022-2024 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 530.198776632 u
Formula C29H30N4O4S
InChI InChI=1S/C29H30N4O4S/c1-29(2,3)21-12-16-24(17-13-21)37-18-25-31-32-28(33(25)23-8-6-5-7-9-23)38-19-26(34)30-22-14-10-20(11-15-22)27(35)36-4/h5-17H,18-19H2,1-4H3,(H,30,34)
InChIKey MMCKEDKASOCLIJ-UHFFFAOYSA-N
Molecular Weight 530.643 g/mol
NMR Offset 18.0059
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Sample State Soluted
Sample_ID 1H_CB_2017_6835
Solvent DMSO-d6
Source Vendor ID: NMR/9313746; Lab Info: LP; Lab Number: LP-2191602
Temperature 29.85 °C