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2,7-dioxaspiro[4.4]nonane-1,6-dione, 3-methyl-8-[(3-methylbutoxy)methyl]-3-[2-(phenylamino)-4-thiazolyl]-
SpectraBase Compound ID JrGOiG0wMbS
InChI InChI=1S/C23H28N2O5S/c1-15(2)9-10-28-12-17-11-23(19(26)29-17)14-22(3,30-20(23)27)18-13-31-21(25-18)24-16-7-5-4-6-8-16/h4-8,13,15,17H,9-12,14H2,1-3H3,(H,24,25)
InChIKey OJATVTJDPVKGII-UHFFFAOYSA-N
Mol Weight 444.55 g/mol
Molecular Formula C23H28N2O5S
Exact Mass 444.171893 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID GUDChsSamMW
Name 2,7-dioxaspiro[4.4]nonane-1,6-dione, 3-methyl-8-[(3-methylbutoxy)methyl]-3-[2-(phenylamino)-4-thiazolyl]-
Copyright Copyright © 2022-2024 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2022-2024 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 444.171893179 u
Formula C23H28N2O5S
InChI InChI=1S/C23H28N2O5S/c1-15(2)9-10-28-12-17-11-23(19(26)29-17)14-22(3,30-20(23)27)18-13-31-21(25-18)24-16-7-5-4-6-8-16/h4-8,13,15,17H,9-12,14H2,1-3H3,(H,24,25)
InChIKey OJATVTJDPVKGII-UHFFFAOYSA-N
Molecular Weight 444.546 g/mol
NMR Offset 18.0059
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Sample State Soluted
Sample_ID 1H_CB_2017_1648
Solvent DMSO-d6
Source Vendor ID: ZI/8077120; Lab Info: ART; Lab Number: ART-bac0402
Temperature 29.85 °C