SpectraBase Spectrum ID |
2I6SyaMQXYN |
Name |
5,5-dimethyl-3-[(5-sulfanyl-4H-1,2,4-triazol-3-yl)methyl]dihydro-2(3H)-furanone |
Copyright |
Copyright © 2022-2025 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2022-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass |
227.072847843 u |
Formula |
C9H13N3O2S |
InChI |
InChI=1S/C9H13N3O2S/c1-9(2)4-5(7(13)14-9)3-6-10-8(15)12-11-6/h5H,3-4H2,1-2H3,(H2,10,11,12,15) |
InChIKey |
SBDNCZFLQXTIDQ-UHFFFAOYSA-N |
Molecular Weight |
227.282 g/mol |
NMR Offset |
18.0068 |
NMR Spectrometer Frequency |
500.134 |
Observed nucleus |
1H |
Sample State |
Soluted |
Sample_ID |
1H_CB_2020_1943 |
Solvent |
DMSO-d6 |
Source |
Vendor ID: NMR/12278680 |