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1-Cyclohexyl-3H-benzo[d]isothiazole 1-oxide
SpectraBase Compound ID 8eFhTegw75D
InChI InChI=1S/C13H17NOS/c15-16(12-7-2-1-3-8-12)13-9-5-4-6-11(13)10-14-16/h4-6,9,12H,1-3,7-8,10H2
InChIKey KALLUELHWYECIY-UHFFFAOYSA-N
Mol Weight 235.34 g/mol
Molecular Formula C13H17NOS
Exact Mass 235.103085 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID qCh1ZAhmsH
Name 1-Cyclohexyl-3H-benzo[d]isothiazole 1-oxide
Appearance Colorless oil
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Exact Mass 235.103085344 u
Formula C13H17NOS
InChI InChI=1S/C13H17NOS/c15-16(12-7-2-1-3-8-12)13-9-5-4-6-11(13)10-14-16/h4-6,9,12H,1-3,7-8,10H2
InChIKey KALLUELHWYECIY-UHFFFAOYSA-N
Instrument Name Finnigan SSQ 7000
Ionization Type EI
Literature Reference DOI 10.1002/anie.201804284
Molecular Weight 235.345 g/mol
Reported Formula C13H17NOS
SMILES C12=C(S(=NC2)(C2CCCCC2)=O)C=CC=C1
SPLASH splash10-000i-0920000000-7a552fefa7a15d11ffc9
Source of Spectrum ACI-57-SM18-4j (DOI: 10.1002/anie.201804284)
Thin-Layer Chromatography 0.52 (EtOAc/MeOH, 10:1)
Wiley ID 1893373