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S-[3-(4-nitrophenyl)-4,5-dihydroisoxazol-5-yl]methyl N-hydroxy-4-nitrobenzenecarboximidothioate
SpectraBase Compound ID 2l8Y5qn87et
InChI InChI=1S/C17H14N4O6S/c22-18-17(12-3-7-14(8-4-12)21(25)26)28-10-15-9-16(19-27-15)11-1-5-13(6-2-11)20(23)24/h1-8,15,22H,9-10H2/b18-17+
InChIKey AHMCNBPGXYUVCB-ISLYRVAYSA-N
Mol Weight 402.38 g/mol
Molecular Formula C17H14N4O6S
Exact Mass 402.063405 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID JHHBqFETcNs
Name S-[3-(4-nitrophenyl)-4,5-dihydroisoxazol-5-yl]methyl N-hydroxy-4-nitrobenzenecarboximidothioate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C17H14N4O6S
InChI InChI=1S/C17H14N4O6S/c22-18-17(12-3-7-14(8-4-12)21(25)26)28-10-15-9-16(19-27-15)11-1-5-13(6-2-11)20(23)24/h1-8,15,22H,9-10H2/b18-17+
InChIKey AHMCNBPGXYUVCB-ISLYRVAYSA-N
Molecular Weight 402.381 g/mol
SMILES O\N=C/(c1ccc(N(=O)=O)cc1)SCC1ON=C(C1)c1ccc(N(=O)=O)cc1
SPLASH splash10-0w4m-6900000000-b25ff7b939be1a10e244
Source of Spectrum B-42-1267-7
Synonyms [3-(4-nitrophenyl)-4,5-dihydro-5-isoxazolyl]methyl N-hydroxy-4-nitrobenzenecarbimidothioate
Wiley ID 1370186