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1H-indole-2-acetic acid, 1-(phenylmethyl)-3-(phenylthio)-, ethyl ester

View entire compound with spectra: 1 NMR

1H-indole-2-acetic acid, 1-(phenylmethyl)-3-(phenylthio)-, ethyl ester
SpectraBase Compound ID BOHUwb5KYft
InChI InChI=1S/C25H23NO2S/c1-2-28-24(27)17-23-25(29-20-13-7-4-8-14-20)21-15-9-10-16-22(21)26(23)18-19-11-5-3-6-12-19/h3-16H,2,17-18H2,1H3
InChIKey JHVLDZQFFBLXFB-UHFFFAOYSA-N
Mol Weight 401.52 g/mol
Molecular Formula C25H23NO2S
Exact Mass 401.14495 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 9FdL3687o6n
Name 1H-indole-2-acetic acid, 1-(phenylmethyl)-3-(phenylthio)-, ethyl 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 401.144950157 u
Formula C25H23NO2S
InChI InChI=1S/C25H23NO2S/c1-2-28-24(27)17-23-25(29-20-13-7-4-8-14-20)21-15-9-10-16-22(21)26(23)18-19-11-5-3-6-12-19/h3-16H,2,17-18H2,1H3
InChIKey JHVLDZQFFBLXFB-UHFFFAOYSA-N
Molecular Weight 401.524 g/mol
NMR Offset 17.0822
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Sample State Soluted
Sample_ID 1H_CB_2017_6736
Solvent CDCl3
Source Vendor ID: NMR/10220350; Lab Info: JMR; Lab Number: JMR-0001893