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2,3,3-Trimethyl-7-(1-methyl-1-hydroxyethyl)benzisothiazoline 1,1-dioxide
SpectraBase Compound ID 626HtHx1Wlz
InChI InChI=1S/C13H19NO3S/c1-12(2)9-7-6-8-10(13(3,4)15)11(9)18(16,17)14(12)5/h6-8,15H,1-5H3
InChIKey CACKOJULNGCUHP-UHFFFAOYSA-N
Mol Weight 269.36 g/mol
Molecular Formula C13H19NO3S
Exact Mass 269.108565 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID JDHRejPcXbi
Name 2,3,3-Trimethyl-7-(1-methyl-1-hydroxyethyl)benzisothiazoline 1,1-dioxide
CAS Registry Number 91190-77-1
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H19NO3S
InChI InChI=1S/C13H19NO3S/c1-12(2)9-7-6-8-10(13(3,4)15)11(9)18(16,17)14(12)5/h6-8,15H,1-5H3
InChIKey CACKOJULNGCUHP-UHFFFAOYSA-N
Molecular Weight 269.359 g/mol
SMILES OC(c1c2S(N(C(C)(C)c2ccc1)C)(=O)=O)(C)C
SPLASH splash10-00kf-9040000000-deb9b1257189eff8f8e1
Source of Spectrum J-49-3448-0
Synonyms 2-(2,3,3-trimethyl-1,1-dioxido-2,3-dihydro-1,2-benzisothiazol-7-yl)-2-propanol
Wiley ID 1273077