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2-Benzyl-2H-naphtho[1,8-cd]isothiazole 1,1-dioxide
SpectraBase Compound ID 8Jd2CEHzpqg
InChI InChI=1S/C17H13NO2S/c19-21(20)16-11-5-9-14-8-4-10-15(17(14)16)18(21)12-13-6-2-1-3-7-13/h1-11H,12H2
InChIKey NRXYSTCCNSQAPY-UHFFFAOYSA-N
Mol Weight 295.36 g/mol
Molecular Formula C17H13NO2S
Exact Mass 295.0667 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID LbIpmvHDhar
Name 2-Benzyl-2H-naphtho[1,8-cd]isothiazole 1,1-dioxide
CAS Registry Number 136061-98-8
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C17H13NO2S
InChI InChI=1S/C17H13NO2S/c19-21(20)16-11-5-9-14-8-4-10-15(17(14)16)18(21)12-13-6-2-1-3-7-13/h1-11H,12H2
InChIKey NRXYSTCCNSQAPY-UHFFFAOYSA-N
Molecular Weight 295.356 g/mol
SMILES c12N(S(c3c1c(ccc2)ccc3)(=O)=O)Cc1ccccc1
SPLASH splash10-0006-9020000000-678358ca164b6ae41780
Source of Spectrum J-56-6515-11
Wiley ID 1298226