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(S,E)-2,3-Dihydrofarnesal
SpectraBase Compound ID 33ahDTGmC45
InChI InChI=1S/C15H26O/c1-13(2)7-5-8-14(3)9-6-10-15(4)11-12-16/h7,9,12,15H,5-6,8,10-11H2,1-4H3/b14-9+/t15-/m0/s1
InChIKey ITBYWGRSPHMAEE-HNRFISLBSA-N
Mol Weight 222.37 g/mol
Molecular Formula C15H26O
Exact Mass 222.198365 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 82VaDGyFyx6
Name (S,E)-2,3-Dihydrofarnesal
Appearance Light yellow oil
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C15H26O
InChI InChI=1S/C15H26O/c1-13(2)7-5-8-14(3)9-6-10-15(4)11-12-16/h7,9,12,15H,5-6,8,10-11H2,1-4H3/b14-9+/t15-/m0/s1
InChIKey ITBYWGRSPHMAEE-HNRFISLBSA-N
Ionization Type EI
Literature Reference DOI 10.1002/cbic.202100372
Molecular Weight 222.372 g/mol
Optical Rotation [a]D25.0 = -10.94 (c = 1.03, CH2Cl2)
SMILES C(C[C@@](CC=O)(C)[H])\C=C\(CCC=C(C)C)C
SPLASH splash10-014i-9400000000-ac83081f9d1805ad40f4
Source of Spectrum CBC-22-SM48-(S)-S2
Wiley ID 1865301