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关于此项目
经验公式(希尔记法):
13C3C15H22O2
化学文摘社编号:
分子量:
273.34
NACRES:
NA.24
PubChem Substance ID:
UNSPSC Code:
41116107
MDL number:
Isotopic purity:
99 atom % 13C
Assay:
98% (CP)
Mass shift:
M+3
Form:
powder
isotopic purity
99 atom % 13C
Quality Segment
assay
98% (CP)
form
powder
technique(s)
mass spectrometry (MS): suitable
mp
258-260 °C (lit.)
mass shift
M+3
storage temp.
−20°C
SMILES string
O[13C]1=[13CH]C=C2C(CC[C@]3([H])[C@]2([H])CC[C@@]4(C)[C@@]3([H])CCC4=O)=[13CH]1
InChI
1S/C18H22O2/c1-18-9-8-14-13-5-3-12(19)10-11(13)2-4-15(14)16(18)6-7-17(18)20/h3,5,10,14-16,19H,2,4,6-9H2,1H3/t14-,15-,16+,18+/m1/s1/i3+1,10+1,12+1
InChI key
DNXHEGUUPJUMQT-JTCDCFKFSA-N
signalword
Danger
hcodes
pcodes
Hazard Classifications
Carc. 1B - Repr. 1B
存储类别
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
