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2-[(2R,5R)-5-[(3E,7E)-4,8,12-trimethyltrideca-3,7,11-trienyl]-2-oxanyl]-2-propenoic acid ethyl ester
SpectraBase Compound ID EBUs6mNJOXg
InChI InChI=1S/C26H42O3/c1-7-28-26(27)23(6)25-18-17-24(19-29-25)16-10-15-22(5)14-9-13-21(4)12-8-11-20(2)3/h11,13,15,24-25H,6-10,12,14,16-19H2,1-5H3/b21-13+,22-15+/t24-,25-/m1/s1
InChIKey IDVVGYJYSFTPRP-HJLBSQCBSA-N
Mol Weight 402.6 g/mol
Molecular Formula C26H42O3
Exact Mass 402.313395 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID JJ21X4p6uvj
Name 2-[(2R,5R)-5-[(3E,7E)-4,8,12-trimethyltrideca-3,7,11-trienyl]-2-oxanyl]-2-propenoic acid ethyl ester
Comments Less than 3 mono-isotopic peaks
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Formula C26H42O3
InChI InChI=1S/C26H42O3/c1-7-28-26(27)23(6)25-18-17-24(19-29-25)16-10-15-22(5)14-9-13-21(4)12-8-11-20(2)3/h11,13,15,24-25H,6-10,12,14,16-19H2,1-5H3/b21-13+,22-15+/t24-,25-/m1/s1
InChIKey IDVVGYJYSFTPRP-HJLBSQCBSA-N
Molecular Weight 402.619 g/mol
SMILES C(C(=O)OCC)([C@@]1(OC[C@@](CC1)(CC\C=C\(CC\C=C\(CCC=C(C)C)C)C)[H])[H])=C
SPLASH splash10-014i-9000200000-f4d516da499944bb1c09
Source of Spectrum F-54-15612-8
Synonyms 2-[(2R,5R)-5-[(3E,7E)-4,8,12-trimethyltrideca-3,7,11-trienyl]tetrahydropyran-2-yl]acrylic acid ethyl ester ethyl 2-[(2R,5R)-5-[(3E,7E)-4,8,12-trimethyltrideca-3,7,11-trienyl]oxan-2-yl]prop-2-enoate ethyl 2-[(2R,5R)-5-[(3E,7E)-4,8,12-trimethyltrideca-3,7,11-trienyl]tetrahydropyran-2-yl]prop-2-enoate
Wiley ID 810092