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1H-isoindole-1,3(2H)-dione, 2-[2-(5-mercapto-1H-1,2,4-triazol-3-yl)ethyl]-
SpectraBase Compound ID LlJ1mDHZKSS
InChI InChI=1S/C12H10N4O2S/c17-10-7-3-1-2-4-8(7)11(18)16(10)6-5-9-13-12(19)15-14-9/h1-4H,5-6H2,(H2,13,14,15,19)
InChIKey YHYSWWVEIHWRHQ-UHFFFAOYSA-N
Mol Weight 274.3 g/mol
Molecular Formula C12H10N4O2S
Exact Mass 274.052447 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 55oY77r3BYW
Name 1H-isoindole-1,3(2H)-dione, 2-[2-(5-mercapto-1H-1,2,4-triazol-3-yl)ethyl]-
Copyright Copyright © 2022-2024 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2022-2024 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 274.052446750 u
Formula C12H10N4O2S
InChI InChI=1S/C12H10N4O2S/c17-10-7-3-1-2-4-8(7)11(18)16(10)6-5-9-13-12(19)15-14-9/h1-4H,5-6H2,(H2,13,14,15,19)
InChIKey YHYSWWVEIHWRHQ-UHFFFAOYSA-N
Molecular Weight 274.298 g/mol
NMR Offset 17.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Sample State Soluted
Sample_ID 1H_CB_2017_8753
Solvent DMSO-d6
Source Vendor ID: NMR/10211781; Lab Info: JI; Lab Number: JI-S000008