2,2-Dimethyl-3-heptene trans

Formula: C₉H₁₈
Molecular weight: 126.2392
IUPAC Standard InChI: InChI=1S/C9H18/c1-5-6-7-8-9(2,3)4/h7-8H,5-6H2,1-4H3/b8-7+
IUPAC Standard InChIKey: BQOCYCICSYUPRF-BQYQJAHWSA-N
CAS Registry Number: 19550-75-5
Chemical structure:
This structure is also available as a 2d Mol file or as a computed 3d SD file
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Stereoisomers:
- (Z)-3-Hexene, 2,2-dimethyl
Other names: trans-2,2-Dimethyl-3-heptene; 3-Heptene, 2,2-dimethyl-, (E)-; (E)-2,2-dimethylhept-3-ene
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Other data available:
- IR Spectrum
- Mass spectrum (electron ionization)
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Gas Chromatography

Data compiled by: NIST Mass Spectrometry Data Center, William E. Wallace, director

Normal alkane RI, non-polar column, temperature ramp

Column type	Active phase	I	Reference	Comment
Capillary	Petrocol DH	802.	Supelco, 2012	100. m/0.25 mm/0.50 μm, Helium, 20. C @ 15. min, 15. K/min, 220. C @ 30. min

References

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Supelco, 2012
Supelco, CatalogNo. 24160-U, Petrocol DH Columns. Catalog No. 24160-U, 2012, retrieved from http://www.sigmaaldrich.com/etc/medialib/docs/Supelco/Datasheet/1/w97949.Par.0001.File.tmp/w97949.pdf. [all data]

Notes

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Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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