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InChI
1S/C21H28O8S.Na/c1-19-7-5-13(22)9-12(19)3-4-14-15-6-8-21(25,17(24)11-29-30(26,27)28)20(15,2)10-16(23)18(14)19;/h9,14-15,18,25H,3-8,10-11H2,1-2H3,(H,26,27,28);/q;+1/p-1/t14-,15-,18?,19-,20-,21-;/m0./s1/i5+1,9+1,13+1;
InChI key
CKCQAVLXEMPVTM-IHWDKLTBSA-M
SMILES string
O=C(COS(=O)([O-])=O)[C@@]1(O)CC[C@@]([C@]1(C)C2)([H])[C@]3([H])CCC4=[13CH][13C]([13CH2]C[C@]4(C)C3C2=O)=O.[Na+]
isotopic purity
≥98 atom % 13C
assay
≥95% (CP)
form
solution
concentration
100 μg/mL in methanol
technique(s)
mass spectrometry (MS): suitable
mass shift
M+3
storage temp.
−20°C
Quality Level
Related Categories
signalword
Danger
Hazard Classifications
Acute Tox. 3 Dermal - Acute Tox. 3 Inhalation - Acute Tox. 3 Oral - Flam. Liq. 2 - STOT SE 1
Storage Class
3 - Flammable liquids
wgk
WGK 2
flash_point_f
49.5 °F
flash_point_c
9.7 °C
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