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1-Ethyl-3H-1lamda4-benzo[d]isothiazole 1-oxide
SpectraBase Compound ID DVNLkhEl3Ol
InChI InChI=1S/C9H11NOS/c1-2-12(11)9-6-4-3-5-8(9)7-10-12/h3-6H,2,7H2,1H3
InChIKey RCUUIWAFYISWDG-UHFFFAOYSA-N
Mol Weight 181.25 g/mol
Molecular Formula C9H11NOS
Exact Mass 181.056135 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 13gcMhofPvJ
Name 1-Ethyl-3H-1lamda4-benzo[d]isothiazole 1-oxide
Appearance Colorless oil
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 181.056135151 u
Formula C9H11NOS
InChI InChI=1S/C9H11NOS/c1-2-12(11)9-6-4-3-5-8(9)7-10-12/h3-6H,2,7H2,1H3
InChIKey RCUUIWAFYISWDG-UHFFFAOYSA-N
Instrument Name Finnigan SSQ 7000
Ionization Type EI
Literature Reference DOI 10.1002/anie.201804284
Molecular Weight 181.253 g/mol
Reported Formula C9H11NOS
SMILES C1=CC2=C(C=C1)S(=NC2)(CC)=O
SPLASH splash10-001i-0900000000-b0c03ea35ec4f30aa97e
Source of Spectrum ACI-57-SM16-4a (DOI: 10.1002/anie.201804284)
Thin-Layer Chromatography 0.33 (EtOAc/MeOH, 10:1)
Wiley ID 1893364