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Thanite
SpectraBase Compound ID AFs3kHM56rm
InChI InChI=1S/C13H19NO2S/c1-12(2)9-4-5-13(12,3)10(6-9)16-11(15)7-17-8-14/h9-10H,4-7H2,1-3H3/t9-,10-,13+/m0/s1
InChIKey IXEVGHXRXDBAOB-OUJBWJOFSA-N
Mol Weight 253.36 g/mol
Molecular Formula C13H19NO2S
Exact Mass 253.11365 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Hr3OznrGBi6
Name Thanite
Comments (unverified)
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Formula C13H19NO2S
InChI InChI=1S/C13H19NO2S/c1-12(2)9-4-5-13(12,3)10(6-9)16-11(15)7-17-8-14/h9-10H,4-7H2,1-3H3/t9-,10-,13+/m0/s1
InChIKey IXEVGHXRXDBAOB-OUJBWJOFSA-N
SMILES C1[C@@]([C@]2(CC[C@@]1(C2(C)C)[H])C)(OC(CSC#N)=O)[H]
SPLASH splash10-0075-9400000000-92e54d9d74474ad19d09
Source of Spectrum Mass Spectrometry Committee of the Toxicology Section of the American Academy of Forensic Sciences