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(2S)-2-(4-Methyl-1-oxa-spiro[2.5]oct-2-yl)benzothiazole
SpectraBase Compound ID FpYTjK9xJv2
InChI InChI=1S/C15H17NOS/c1-10-6-4-5-9-15(10)13(17-15)14-16-11-7-2-3-8-12(11)18-14/h2-3,7-8,10,13H,4-6,9H2,1H3/t10?,13-,15?/m1/s1
InChIKey OVCKCNCRWNAVBD-VROQLPPWSA-N
Mol Weight 259.37 g/mol
Molecular Formula C15H17NOS
Exact Mass 259.103085 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID CyRlMwDYYFH
Name (2S)-2-(4-Methyl-1-oxa-spiro[2.5]oct-2-yl)benzothiazole
Appearance White solid
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Formula C15H17NOS
InChI InChI=1S/C15H17NOS/c1-10-6-4-5-9-15(10)13(17-15)14-16-11-7-2-3-8-12(11)18-14/h2-3,7-8,10,13H,4-6,9H2,1H3/t10?,13-,15?/m1/s1
InChIKey OVCKCNCRWNAVBD-VROQLPPWSA-N
Instrument Name Shimadzu GCMS-QP5050A
Ionization Type EI
Literature Reference DOI 10.3998/ark.5550190.0005.e06
Molecular Weight 259.367 g/mol
Optical Rotation [a]D22 = +10.5 (c = 0.02, CHCl3)
SMILES CC1CCCCC11O[C@@]1(c1sc2c(n1)cccc2)[H]
SPLASH splash10-08ia-0970000000-f3e984c8261f108b19fe
Source of Spectrum ARK-2004-68-2a
Wiley ID 1875899