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3-(3-methyl-1,3-benzothiazol-2(3H)-ylidene)-2,4-pentanedione

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3-(3-methyl-1,3-benzothiazol-2(3H)-ylidene)-2,4-pentanedione
SpectraBase Compound ID 21nvmMdjUtw
InChI InChI=1S/C13H13NO2S/c1-8(15)12(9(2)16)13-14(3)10-6-4-5-7-11(10)17-13/h4-7H,1-3H3
InChIKey YOVIMCRIWSEEKH-UHFFFAOYSA-N
Mol Weight 247.31 g/mol
Molecular Formula C13H13NO2S
Exact Mass 247.0667 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 7RnMmsXJ1dA
Name 3-(3-methyl-1,3-benzothiazol-2(3H)-ylidene)-2,4-pentanedione
Copyright Copyright © 2022-2025 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2022-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 247.066699835 u
Formula C13H13NO2S
InChI InChI=1S/C13H13NO2S/c1-8(15)12(9(2)16)13-14(3)10-6-4-5-7-11(10)17-13/h4-7H,1-3H3
InChIKey YOVIMCRIWSEEKH-UHFFFAOYSA-N
Molecular Weight 247.312 g/mol
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Sample State Soluted
Sample_ID 1H_CB_2020_4888
Solvent DMSO-d6
Source Vendor ID: NMR/12318052