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n-Butyl .alpha.-[5-(5-nitro-2-furyl)-1,3,4-thiadiazole-2-ylthio]acetate
SpectraBase Compound ID AcZI475Sakr
InChI InChI=1S/C12H13N3O5S2/c1-2-3-6-19-10(16)7-21-12-14-13-11(22-12)8-4-5-9(20-8)15(17)18/h4-5H,2-3,6-7H2,1H3
InChIKey LIFMTTAPAQCZLH-UHFFFAOYSA-N
Mol Weight 343.37 g/mol
Molecular Formula C12H13N3O5S2
Exact Mass 343.029663 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 1GuAbpkXzxT
Name n-Butyl .alpha.-[5-(5-nitro-2-furyl)-1,3,4-thiadiazole-2-ylthio]acetate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H13N3O5S2
InChI InChI=1S/C12H13N3O5S2/c1-2-3-6-19-10(16)7-21-12-14-13-11(22-12)8-4-5-9(20-8)15(17)18/h4-5H,2-3,6-7H2,1H3
InChIKey LIFMTTAPAQCZLH-UHFFFAOYSA-N
Molecular Weight 343.372 g/mol
SMILES C(CSc1sc(nn1)-c1oc(cc1)[N+](=O)[O-])(=O)OCCCC
SPLASH splash10-0006-0290000000-def37a663bba86289109
Source of Spectrum APC-338-115-6d
Synonyms Butyl 2-((5-(5-nitrofuran-2-yl)-1,3,4-thiadiazol-2-yl)thio)acetate 2-[[5-(5-nitro-2-furanyl)-1,3,4-thiadiazol-2-yl]thio]acetic acid butyl ester Butyl 2-[[5-(5-nitrofuran-2-yl)-1,3,4-thiadiazol-2-yl]sulfanyl]acetate Butyl 2-[[5-(5-nitro-2-furyl)-1,3,4-thiadiazol-2-yl]sulfanyl]acetate Butyl 2-[[5-(5-nitrofuran-2-yl)-1,3,4-thiadiazol-2-yl]sulfanyl]ethanoate
Wiley ID 1770887