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Ethyl 2-(4-nitrobenzoylimino)-1,3-oxathiole-5-carboxylate
SpectraBase Compound ID C3jfm9VIgMn
InChI InChI=1S/C13H10N2O6S/c1-2-20-12(17)10-7-22-13(21-10)14-11(16)8-3-5-9(6-4-8)15(18)19/h3-7H,2H2,1H3
InChIKey JHIHZTMJFOHHMY-UHFFFAOYSA-N
Mol Weight 322.29 g/mol
Molecular Formula C13H10N2O6S
Exact Mass 322.025957 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 5TCZU2eN1lg
Name Ethyl 2-(4-nitrobenzoylimino)-1,3-oxathiole-5-carboxylate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H10N2O6S
InChI InChI=1S/C13H10N2O6S/c1-2-20-12(17)10-7-22-13(21-10)14-11(16)8-3-5-9(6-4-8)15(18)19/h3-7H,2H2,1H3
InChIKey JHIHZTMJFOHHMY-UHFFFAOYSA-N
Literature Reference DOI 10.1007/s10593-015-1783-5
Molecular Weight 322.291 g/mol
SMILES C=1(OC(SC1)=NC(=O)c1ccc(cc1)[N+](=O)[O-])C(OCC)=O
SPLASH splash10-0fft-5921000000-6d9703703e576357ba2d
Source of Spectrum HC-51-836-4e
Synonyms Ethyl 2-((4-nitrobenzoyl)imino)-1,3-oxathiole-5-carboxylate
Wiley ID 1800820