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1,7,7-trimethyl-2-(thiazol-2-yl)bicyclo[2.2.1]heptan-2-ol
SpectraBase Compound ID CQMDBLW3oai
InChI InChI=1S/C13H19NOS/c1-11(2)9-4-5-12(11,3)13(15,8-9)10-14-6-7-16-10/h6-7,9,15H,4-5,8H2,1-3H3/t9-,12-,13+/m1/s1
InChIKey GNSPSGHQRQZDLA-WQAKAFBOSA-N
Mol Weight 237.36 g/mol
Molecular Formula C13H19NOS
Exact Mass 237.118735 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID HOKuqwW9AtJ
Name 1,7,7-trimethyl-2-(thiazol-2-yl)bicyclo[2.2.1]heptan-2-ol
Appearance Yellow solid
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Formula C13H19NOS
InChI InChI=1S/C13H19NOS/c1-11(2)9-4-5-12(11,3)13(15,8-9)10-14-6-7-16-10/h6-7,9,15H,4-5,8H2,1-3H3/t9-,12-,13+/m1/s1
InChIKey GNSPSGHQRQZDLA-WQAKAFBOSA-N
Ionization Type EI
Literature Reference DOI 10.1002/anie.201814373
Molecular Weight 237.361 g/mol
Reported Formula C13H19NOS
SMILES O[C@]1([C@@]2(CC[C@](C1)(C2(C)C)[H])C)c1sccn1
SPLASH splash10-004s-8910000000-c33b8861dec2b87db3bf
Source of Spectrum ACI-58-SM31-10p
Thin-Layer Chromatography Rf = 0.26 (SiO2, i-hexane/EtOAc, 9:1)
Wiley ID 1843164