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ethyl 2-({[(1S,9R)-6-oxo-7,11-diazatricyclo[7.3.1.0~2,7~]trideca-2,4-dien-11-yl]carbothioyl}amino)-3-phenylpropanoate
SpectraBase Compound ID 7dleUSUO6mg
InChI InChI=1S/C23H27N3O3S/c1-2-29-22(28)19(12-16-7-4-3-5-8-16)24-23(30)25-13-17-11-18(15-25)20-9-6-10-21(27)26(20)14-17/h3-10,17-19H,2,11-15H2,1H3,(H,24,30)
InChIKey RHXCZTGKYSMARR-UHFFFAOYSA-N
Mol Weight 425.55 g/mol
Molecular Formula C23H27N3O3S
Exact Mass 425.177313 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 8LdPUVktdre
Name ethyl 2-({[(1S,9R)-6-oxo-7,11-diazatricyclo[7.3.1.0~2,7~]trideca-2,4-dien-11-yl]carbothioyl}amino)-3-phenylpropanoate
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/C23H27N3O3S/c1-2-29-22(28)19(12-16-7-4-3-5-8-16)24-23(30)25-13-17-11-18(15-25)20-9-6-10-21(27)26(20)14-17/h3-10,17-19H,2,11-15H2,1H3,(H,24,30)
InChIKey RHXCZTGKYSMARR-UHFFFAOYSA-N
NMR Offset 15.328
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_9661
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: D60168; Labnumber: NCOBK-0724; SBI_ID: SBI-009664
Synonyms ethyl 2-({[6-oxo-7,11-diazatricyclo[7.3.1.0~2,7~]trideca-2,4-dien-11-yl]carbothioyl}amino)-3-phenylpropanoate
Temperature 318 °C