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3-Oxohexyl (R,E)-2,3-dihydrofarnesoate
SpectraBase Compound ID Dvx2iE9eYMY
InChI InChI=1S/C21H36O3/c1-6-9-20(22)14-15-24-21(23)16-19(5)13-8-12-18(4)11-7-10-17(2)3/h10,12,19H,6-9,11,13-16H2,1-5H3/b18-12+/t19-/m1/s1
InChIKey WCJKCHCJXAHDQE-TVNWYLLRSA-N
Mol Weight 336.5 g/mol
Molecular Formula C21H36O3
Exact Mass 336.266445 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID LieHpDXqtKC
Name 3-Oxohexyl (R,E)-2,3-dihydrofarnesoate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H36O3
InChI InChI=1S/C21H36O3/c1-6-9-20(22)14-15-24-21(23)16-19(5)13-8-12-18(4)11-7-10-17(2)3/h10,12,19H,6-9,11,13-16H2,1-5H3/b18-12+/t19-/m1/s1
InChIKey WCJKCHCJXAHDQE-TVNWYLLRSA-N
Ionization Type EI
Literature Reference DOI 10.1002/cbic.202100372
Molecular Weight 336.516 g/mol
Optical Rotation [a]D25.0 = +2.51 (c = 1.08, CH2Cl2)
Reported Formula C21H36O3
SMILES C(C[C@](CC(=O)OCCC(CCC)=O)(C)[H])\C=C\(CCC=C(C)C)C
SPLASH splash10-0axu-7900000000-ce77425fcb0a9a32ddd8
Source of Spectrum CBC-22-SM51-(R)-8l
Wiley ID 1865283