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InChI
1S/C15H16O2/c1-15(2,11-3-7-13(16)8-4-11)12-5-9-14(17)10-6-12/h3-10,16-17H,1-2H3/i3+1,4+1,5+1,6+1,7+1,8+1,9+1,10+1,11+1,12+1,13+1,14+1
SMILES string
CC(C)([13c]1[13cH][13cH][13c](O)[13cH][13cH]1)[13c]2[13cH][13cH][13c](O)[13cH][13cH]2
InChI key
IISBACLAFKSPIT-ZGFLEIAISA-N
isotopic purity
99 atom % 13C
assay
98% (CP)
form
crystals
technique(s)
mass spectrometry (MS): suitable
mp
158-159 °C (lit.)
mass shift
M+12
Quality Level
Related Categories
Packaging
signalword
Danger
Hazard Classifications
Aquatic Chronic 2 - Eye Dam. 1 - Repr. 1B - Skin Sens. 1 - STOT SE 3
target_organs
Respiratory system
Storage Class
6.1C - Combustible acute toxic Cat.3 / toxic compounds or compounds which causing chronic effects
wgk
WGK 3
flash_point_f
Not applicable
flash_point_c
Not applicable
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