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3-[(1,3-benzothiazol-2-ylsulfanyl)acetyl]-3,8-dimethyl-2,7-dioxaspiro[4.4]nonane-1,6-dione
SpectraBase Compound ID 9CM8pzhmkPD
InChI InChI=1S/C18H17NO5S2/c1-10-7-18(14(21)23-10)9-17(2,24-15(18)22)13(20)8-25-16-19-11-5-3-4-6-12(11)26-16/h3-6,10H,7-9H2,1-2H3
InChIKey UBMQUKPOVZTBAS-UHFFFAOYSA-N
Mol Weight 391.46 g/mol
Molecular Formula C18H17NO5S2
Exact Mass 391.054815 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 20BBVhJn9pt
Name 3-[(1,3-benzothiazol-2-ylsulfanyl)acetyl]-3,8-dimethyl-2,7-dioxaspiro[4.4]nonane-1,6-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 391.054814994 u
Formula C18H17NO5S2
InChI InChI=1S/C18H17NO5S2/c1-10-7-18(14(21)23-10)9-17(2,24-15(18)22)13(20)8-25-16-19-11-5-3-4-6-12(11)26-16/h3-6,10H,7-9H2,1-2H3
InChIKey UBMQUKPOVZTBAS-UHFFFAOYSA-N
Molecular Weight 391.456 g/mol
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Sample State Soluted
Sample_ID 1H_CB_2020_1960
Solvent DMSO-d6
Source Vendor ID: NMR/12278706