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1-(p-Tolyl)-4,5-dihydro-3H-isothiazole 1-oxide
SpectraBase Compound ID 5sZVvd2NCoQ
InChI InChI=1S/C10H13NOS/c1-9-3-5-10(6-4-9)13(12)8-2-7-11-13/h3-6H,2,7-8H2,1H3
InChIKey YQKPQOPYIYSGKO-UHFFFAOYSA-N
Mol Weight 195.28 g/mol
Molecular Formula C10H13NOS
Exact Mass 195.071785 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2i38DUVRQyO
Name 1-(p-Tolyl)-4,5-dihydro-3H-isothiazole 1-oxide
Appearance White solid
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Exact Mass 195.071785216 u
Formula C10H13NOS
InChI InChI=1S/C10H13NOS/c1-9-3-5-10(6-4-9)13(12)8-2-7-11-13/h3-6H,2,7-8H2,1H3
InChIKey YQKPQOPYIYSGKO-UHFFFAOYSA-N
Instrument Name Finnigan SSQ 7000
Ionization Type EI
Literature Reference DOI 10.1002/anie.201804284
Molecular Weight 195.280 g/mol
Quality 99
Reported Formula C10H13NOS
SMILES C1(=CC=C(C=C1)C)S1(=NCCC1)=O
SPLASH splash10-000i-5900000000-bb9ae13202655c45b1a6
Source of Spectrum ACI-57-SM13-2b (DOI: 10.1002/anie.201804284)
Thin-Layer Chromatography 0.43 (EtOAc/MeOH, 10:1)
Wiley ID 1893335