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3-{4-oxo-6,8-dioxabicyclo[3.2.1]octan-2-yl}-2lambda6-thia-3-azatricyclo[6.3.1.0(4,12)]dodeca-1(12),4,6,8,10-pentaene-2,2-dione

View entire compound with spectra: 1 NMR

3-{4-oxo-6,8-dioxabicyclo[3.2.1]octan-2-yl}-2lambda6-thia-3-azatricyclo[6.3.1.0(4,12)]dodeca-1(12),4,6,8,10-pentaene-2,2-dione
SpectraBase Compound ID 2OtVcyHlpHH
InChI InChI=1S/C16H13NO5S/c18-12-7-11(13-8-21-16(12)22-13)17-10-5-1-3-9-4-2-6-14(15(9)10)23(17,19)20/h1-6,11,13,16H,7-8H2/t11-,13+,16+/m0/s1
InChIKey AMPFCEAVGZSZOT-NORZTCDRSA-N
Mol Weight 331.34 g/mol
Molecular Formula C16H13NO5S
Exact Mass 331.051444 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID DYWJ0NuJjKy
Name 3-{4-oxo-6,8-dioxabicyclo[3.2.1]octan-2-yl}-2lambda6-thia-3-azatricyclo[6.3.1.0(4,12)]dodeca-1(12),4,6,8,10-pentaene-2,2-dione
Copyright Copyright © 2022-2024 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2022-2024 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 331.051443692 u
Formula C16H13NO5S
InChI InChI=1S/C16H13NO5S/c18-12-7-11(13-8-21-16(12)22-13)17-10-5-1-3-9-4-2-6-14(15(9)10)23(17,19)20/h1-6,11,13,16H,7-8H2/t11-,13+,16+/m0/s1
InChIKey AMPFCEAVGZSZOT-NORZTCDRSA-N
Molecular Weight 331.342 g/mol
NMR Offset 17.989
NMR Spectrometer Frequency 500.132
Observed nucleus 1H
Sample State Soluted
Sample_ID 1H_CB_2017_17930
Solvent CDCl3
Source Vendor ID: NMR/11260277; Lab Info: SAD; Lab Number: 86