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(3-[1,3]Dioxolan-2-yl-6-nitro-benzo[d]isoxazol-4-ylsulfanyl)-acetic acid methyl ester
SpectraBase Compound ID JwxKcorDabw
InChI InChI=1S/C13H12N2O7S/c1-19-10(16)6-23-9-5-7(15(17)18)4-8-11(9)12(14-22-8)13-20-2-3-21-13/h4-5,13H,2-3,6H2,1H3
InChIKey DVXWWOQQDRJCAN-UHFFFAOYSA-N
Mol Weight 340.31 g/mol
Molecular Formula C13H12N2O7S
Exact Mass 340.036522 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID GfGC6HHhdgT
Name (3-[1,3]Dioxolan-2-yl-6-nitro-benzo[d]isoxazol-4-ylsulfanyl)-acetic acid methyl ester
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Formula C13H12N2O7S
InChI InChI=1S/C13H12N2O7S/c1-19-10(16)6-23-9-5-7(15(17)18)4-8-11(9)12(14-22-8)13-20-2-3-21-13/h4-5,13H,2-3,6H2,1H3
InChIKey DVXWWOQQDRJCAN-UHFFFAOYSA-N
Molecular Weight 340.306 g/mol
SMILES c1(c2c(cc(N(=O)=O)cc2SCC(=O)OC)on1)C1OCCO1
SPLASH splash10-00dj-9111000000-fc73f8c9ca73cd6097e5
Synonyms 2-[[3-(1,3-dioxolan-2-yl)-6-nitro-1,2-benzoxazol-4-yl]thio]acetic acid methyl ester 2-[[3-(1,3-dioxolan-2-yl)-6-nitro-indoxazen-4-yl]thio]acetic acid methyl ester Methyl ([3-(1,3-dioxolan-2-yl)-6-nitro-1,2-benzisoxazol-4-yl]sulfanyl)acetate Methyl 2-[[3-(1,3-dioxolan-2-yl)-6-nitro-1,2-benzoxazol-4-yl]sulfanyl]acetate Methyl 2-[[3-(1,3-dioxolan-2-yl)-6-nitro-1,2-benzoxazol-4-yl]sulfanyl]ethanoate
Wiley ID 1462822