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3-(3,4,5-Trimethoxyphenyl)-1,2,3-thiadiazol-3-ium-4-olate
SpectraBase Compound ID 1eieg5vlhYQ
InChI InChI=1S/C11H12N2O4S/c1-15-8-4-7(13-10(14)6-18-12-13)5-9(16-2)11(8)17-3/h4-6H,1-3H3
InChIKey ACSFYOOEPRLWJA-UHFFFAOYSA-N
Mol Weight 268.29 g/mol
Molecular Formula C11H12N2O4S
Exact Mass 268.051778 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID KNMyXfOYFBR
Name 3-(3,4,5-Trimethoxyphenyl)-1,2,3-thiadiazol-3-ium-4-olate
Alternate Name(s) 3-(3,4,5-trimethoxyphenyl)-4-thiadiazol-3-iumolate 3-(3,4,5-trimethoxyphenyl)thiadiazol-3-ium-4-olate
CAS Registry Number 41175-64-8
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C11H12N2O4S
InChI InChI=1S/C11H12N2O4S/c1-15-8-4-7(13-10(14)6-18-12-13)5-9(16-2)11(8)17-3/h4-6H,1-3H3
InChIKey ACSFYOOEPRLWJA-UHFFFAOYSA-N
Molecular Weight 268.287 g/mol
SMILES COc1cc(cc(c1OC)OC)-[n+]1c(csn1)[O-]
SPLASH splash10-014i-7910000000-d8fd2e072dd180bd3ad2
Source of Spectrum O-7-212-8
Wiley ID 1271653