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Acetic acid, 2-[1-(3,4-methylenedioxyphenyl)-5-tetrazolylthio]-, ethyl ester
SpectraBase Compound ID 1whBuXTVfUS
InChI InChI=1S/C12H12N4O4S/c1-2-18-11(17)6-21-12-13-14-15-16(12)8-3-4-9-10(5-8)20-7-19-9/h3-5H,2,6-7H2,1H3
InChIKey BXJYVDBEICJJTK-UHFFFAOYSA-N
Mol Weight 308.31 g/mol
Molecular Formula C12H12N4O4S
Exact Mass 308.057926 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID FI9OQiAe2R7
Name Acetic acid, 2-[1-(3,4-methylenedioxyphenyl)-5-tetrazolylthio]-, ethyl ester
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H12N4O4S
InChI InChI=1S/C12H12N4O4S/c1-2-18-11(17)6-21-12-13-14-15-16(12)8-3-4-9-10(5-8)20-7-19-9/h3-5H,2,6-7H2,1H3
InChIKey BXJYVDBEICJJTK-UHFFFAOYSA-N
Molecular Weight 308.312 g/mol
SMILES CCOC(CSc1[n](nnn1)-c1cc2OCOc2cc1)=O
SPLASH splash10-03di-8910000000-8d6fa3b592e4c9241da3
Source of Spectrum AD-0-2532-0
Synonyms 2-[[1-(1,3-benzodioxol-5-yl)-5-tetrazolyl]thio]acetic acid ethyl ester 2-[[1-(1,3-benzodioxol-5-yl)tetrazol-5-yl]thio]acetic acid ethyl ester Ethyl ([1-(1,3-benzodioxol-5-yl)-1H-tetraazol-5-yl]sulfanyl)acetate Ethyl 2-[1-(1,3-benzodioxol-5-yl)tetrazol-5-yl]sulfanylacetate Ethyl 2-[[1-(1,3-benzodioxol-5-yl)-1,2,3,4-tetrazol-5-yl]sulfanyl]ethanoate
Wiley ID 1433603