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1-Ethyl-5-methoxy-3H-1.lambda.4-benzo[d]isothiazole 1-oxide
SpectraBase Compound ID HqKzHfQXtP5
InChI InChI=1S/C10H13NO2S/c1-3-14(12)10-5-4-9(13-2)6-8(10)7-11-14/h4-6H,3,7H2,1-2H3
InChIKey NIUCERZAPAADAK-UHFFFAOYSA-N
Mol Weight 211.28 g/mol
Molecular Formula C10H13NO2S
Exact Mass 211.0667 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 6VEvDETWXr5
Name 1-Ethyl-5-methoxy-3H-1.lambda.4-benzo[d]isothiazole 1-oxide
Appearance White solid
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Exact Mass 211.066699835 u
Formula C10H13NO2S
InChI InChI=1S/C10H13NO2S/c1-3-14(12)10-5-4-9(13-2)6-8(10)7-11-14/h4-6H,3,7H2,1-2H3
InChIKey NIUCERZAPAADAK-UHFFFAOYSA-N
Instrument Name Finnigan SSQ 7000
Ionization Type EI
Literature Reference DOI 10.1002/anie.201804284
Molecular Weight 211.279 g/mol
Reported Formula C10H13NO2S
SMILES C1(=CC2=C(C=C1)S(=NC2)(CC)=O)OC
SPLASH splash10-03dr-9810000000-c5233aaf3991bf7dc7bf
Source of Spectrum ACI-57-SM17-4d (DOI: 10.1002/anie.201804284)
Thin-Layer Chromatography 0.40 (EtOAc/MeOH, 10:1)
Wiley ID 1893367