cis-3-Hexenyltiglate

Formula: C₁₁H₁₈O₂
Molecular weight: 182.2594
IUPAC Standard InChI: InChI=1S/C11H18O2/c1-4-6-7-8-9-13-11(12)10(3)5-2/h5-7H,4,8-9H2,1-3H3/b7-6-,10-5+
IUPAC Standard InChIKey: JNWQKXUWZWKUAY-JQEGGOPCSA-N
CAS Registry Number: 67883-79-8
Chemical structure:
This structure is also available as a 2d Mol file
Stereoisomers:
- (Z)-(Z)-Hex-3-en-1-yl 2-methylbut-2-enoate
- (E)-Hex-3-enyl (E)-2-methylbut-2-enoate
Other names: (Z)-Hex-3-enyl (E)-2-methylbut-2-enoate; (Z)-3-hexenyl 2-methylcrotonate
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Gas Chromatography

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

Column type	Active phase	I	Reference	Comment
Capillary	VF-5MS	1325.	Liang, 2010	30. m/0.25 mm/0.25 μm, He; T_start: 60. C; T_end: 270. C
Capillary	HP-5MS	1274.	Saroglou, Dorizas, et al., 2006	30. m/0.25 mm/0.25 μm, He, 60. C @ 5. min, 4. K/min; T_end: 280. C

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Liang, 2010
Liang, Y., Retention Data. NIST Mass Spectrometry Data Center., NIST Mass Spectrometry Data Center, 2010. [all data]

Saroglou, Dorizas, et al., 2006
Saroglou, V.; Dorizas, N.; Kypriotakis, Z.; Skaltsa, H.D., Analysis of the essential oil composition of eight Anthemis species from Greece, J. Chromatogr. A, 2006, 1104, 1-2, 313-322, https://doi.org/10.1016/j.chroma.2005.11.087 . [all data]

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Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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