12341
三十九烷
≥90.0% (GC)
别名:
n-Nonatriacontane
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关于此项目
线性分子式:
CH3(CH2)37CH3
化学文摘社编号:
分子量:
549.05
UNSPSC Code:
12352100
NACRES:
NA.22
PubChem Substance ID:
MDL number:
Beilstein/REAXYS Number:
1714035
Assay:
≥90.0% (GC)
InChI
1S/C39H80/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-39-38-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h3-39H2,1-2H3
SMILES string
CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC
InChI key
SNXOSZZZNFRFNZ-UHFFFAOYSA-N
assay
≥90.0% (GC)
mp
78-82 °C
Quality Level
General description
壬三烷单晶的厚度为45±10 A°。
Application
使用三十九烷开发了一种新的峰比对算法，称为距离和光谱相关优化（DISCO）方法，以比对代谢组学的二维气相色谱飞行时间质量光谱数据。
存储类别
11 - Combustible Solids
wgk
WGK 3
flash_point_f
Not applicable
flash_point_c
Not applicable
Bing Wang et al.
Analytical chemistry, 82(12), 5069-5081 (2010-05-19)
A novel peak alignment algorithm using a distance and spectrum correlation optimization (DISCO) method has been developed for two-dimensional gas chromatography time-of-flight mass spectrometry (GCxGC/TOF-MS)-based metabolomics. This algorithm uses the output of the instrument control software, ChromaTOF, as its input
c= J'Peter Sullivan
Wunderlich B.
Reproduction (Cambridge, England) (1963)
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