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About This Item
Empirical Formula (Hill Notation):
13C3C18H30O4
Molecular Weight:
349.44
PubChem Substance ID:
UNSPSC Code:
12142200
NACRES:
NA.12
EC Number:
200-659-6
Isotopic purity:
≥98 atom % 13C
Assay:
≥97% (CP)
Mass shift:
M+3
Form:
liquid
isotopic purity
≥98 atom % 13C
Quality Level
assay
≥97% (CP)
form
liquid
concentration
100 μg/mL in methanol
technique(s)
mass spectrometry (MS): suitable
mass shift
M+3
storage temp.
−20°C
SMILES string
C[C@]1(C[13C]2)C(CCC3C1CC[C@@]4(C)C3CC[C@]4(O)C(CO)=O)=[13C][13C]2=O
InChI
1S/C21H27O4/c1-19-8-5-14(23)11-13(19)3-4-15-16(19)6-9-20(2)17(15)7-10-21(20,25)18(24)12-22/h15-17,22,25H,3-4,6-10,12H2,1-2H3/t15?,16?,17?,19-,20-,21-/m0/s1/i5+1,11+1,14+1
InChI key
BTJLPTVOOCUWBT-HSCQNOFGSA-N
signalword
Danger
Hazard Classifications
Acute Tox. 3 Dermal - Acute Tox. 3 Inhalation - Acute Tox. 3 Oral - Flam. Liq. 2 - STOT SE 1
target_organs
Eyes
Storage Class
3 - Flammable liquids
wgk
WGK 2
flash_point_f
49.5 °F
flash_point_c
9.7 °C
Regulatory Information
危险化学品
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Global Trade Item Number
| SKU | GTIN |
|---|---|
| 809594-1ML | 04061838085771 |


