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2-(2-[(3,4-Dimethylphenyl)sulfonyl]ethyl)-1,3-benzothiazole
SpectraBase Compound ID Dw18pBCkK43
InChI InChI=1S/C17H17NO2S2/c1-12-7-8-14(11-13(12)2)22(19,20)10-9-17-18-15-5-3-4-6-16(15)21-17/h3-8,11H,9-10H2,1-2H3
InChIKey KFQGTLCMLZXJBM-UHFFFAOYSA-N
Mol Weight 331.45 g/mol
Molecular Formula C17H17NO2S2
Exact Mass 331.070071 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID IivY6hNUint
Name 2-(2-[(3,4-Dimethylphenyl)sulfonyl]ethyl)-1,3-benzothiazole
CAS Registry Number 332165-86-3
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C17H17NO2S2
InChI InChI=1S/C17H17NO2S2/c1-12-7-8-14(11-13(12)2)22(19,20)10-9-17-18-15-5-3-4-6-16(15)21-17/h3-8,11H,9-10H2,1-2H3
InChIKey KFQGTLCMLZXJBM-UHFFFAOYSA-N
Molecular Weight 331.448 g/mol
SMILES c1cc2nc(CCS(c3cc(C)c(cc3)C)(=O)=O)sc2cc1
SPLASH splash10-02t9-2970000000-055460245534e41522aa
Source of Spectrum AD-0-2532-0
Synonyms Benzothiazole, 2-[2-(3,4-dimethylphenylsulfonyl)ethyl]-
Wiley ID 1422148