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1,2-Benzisothiazole-3-ethanol, acetate (ester)
SpectraBase Compound ID 8viLl2wlRgZ
InChI InChI=1S/C11H11NO2S/c1-8(13)14-7-6-10-9-4-2-3-5-11(9)15-12-10/h2-5H,6-7H2,1H3
InChIKey KGKHNFPAMRTSNW-UHFFFAOYSA-N
Mol Weight 221.27 g/mol
Molecular Formula C11H11NO2S
Exact Mass 221.05105 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID LGdMrdeylq
Name 1,2-Benzisothiazole-3-ethanol, acetate (ester)
Alternate Name(s) 2-(1,2-Benzisothiazol-3-yl)ethyl acetate 2-(1,2-benzothiazol-3-yl)ethyl acetate 2-(1,2-benzothiazol-3-yl)ethyl ethanoate Acetic acid 2-(1,2-benzothiazol-3-yl)ethyl ester
CAS Registry Number 55712-48-6
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C11H11NO2S
InChI InChI=1S/C11H11NO2S/c1-8(13)14-7-6-10-9-4-2-3-5-11(9)15-12-10/h2-5H,6-7H2,1H3
InChIKey KGKHNFPAMRTSNW-UHFFFAOYSA-N
Molecular Weight 221.274 g/mol
SMILES CC(=O)OCCc1c2ccccc2sn1
SPLASH splash10-006t-1910000000-26a764009440b100b819
Source of Spectrum O-7-328-9
Wiley ID 1221113