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(2''R,5''R,7''S)-2-[2'-(2''-Methyl-1'',6''-dioxaspiro[4.5]dec-7''-yl)ethylthio]-benzothiazole
SpectraBase Compound ID 2A0x4qIfOYi
InChI InChI=1S/C18H23NO2S2/c1-13-8-11-18(20-13)10-4-5-14(21-18)9-12-22-17-19-15-6-2-3-7-16(15)23-17/h2-3,6-7,13-14H,4-5,8-12H2,1H3/t13-,14+,18-/m1/s1
InChIKey QXAINXWOPAQRRH-QWQRMKEZSA-N
Mol Weight 349.51 g/mol
Molecular Formula C18H23NO2S2
Exact Mass 349.117021 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID FWALf5IY5ow
Name (2''R,5''R,7''S)-2-[2'-(2''-Methyl-1'',6''-dioxaspiro[4.5]dec-7''-yl)ethylthio]-benzothiazole
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Formula C18H23NO2S2
InChI InChI=1S/C18H23NO2S2/c1-13-8-11-18(20-13)10-4-5-14(21-18)9-12-22-17-19-15-6-2-3-7-16(15)23-17/h2-3,6-7,13-14H,4-5,8-12H2,1H3/t13-,14+,18-/m1/s1
InChIKey QXAINXWOPAQRRH-QWQRMKEZSA-N
Molecular Weight 349.507 g/mol
SMILES c1(nc2ccccc2s1)SCC[C@]1(O[C@]2(O[C@](C)(CC2)[H])CCC1)[H]
SPLASH splash10-02u1-5900000000-10aef5412d268f8323dd
Source of Spectrum F5-5-2580-29b
Synonyms 2-((2-((2R,5R,7S)-2-methyl-1,6-dioxaspiro[4.5]decan-7-yl)ethyl)thio)benzo[d]thiazole
Wiley ID 1733261