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(2E,6E)-(4,4,15,15,15-(2)H5)farnesol
SpectraBase Compound ID Exswhld3bjk
InChI InChI=1S/C15H26O/c1-13(2)7-5-8-14(3)9-6-10-15(4)11-12-16/h7,9,11,16H,5-6,8,10,12H2,1-4H3/b14-9+,15-11+/i4D3,10D2
InChIKey CRDAMVZIKSXKFV-KENVFRNISA-N
Mol Weight 227.4 g/mol
Molecular Formula C15H21D5O
Exact Mass 227.229749 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID G92IObYi74M
Name (2E,6E)-(4,4,15,15,15-(2)H5)farnesol
Appearance Colorless oil
Carrier Gas Helium
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 227.229749186 u
Formula C15H21D5O
GC Oven Program Oven temp 320 oC
InChI InChI=1S/C15H26O/c1-13(2)7-5-8-14(3)9-6-10-15(4)11-12-16/h7,9,11,16H,5-6,8,10,12H2,1-4H3/b14-9+,15-11+/i4D3,10D2
InChIKey CRDAMVZIKSXKFV-KENVFRNISA-N
Inlet Type split or splitless injector
Instrument Name Agilent HP 7890B GC-5977A inert mass detector
Ionization Type EI
Literature Reference DOI 10.1002/anie.202117273
Molecular Weight 227.403 g/mol
Quality 173
SMILES OC\C=C\(C(C\C=C\(CCC=C(C)C)C)([D])[D])C([D])([D])[D]
SPLASH splash10-05mo-9200000000-bc0b3f50d094141aeb8e
Source of Spectrum ACI-61-SM124-S5 (DOI: 10.1002/anie.202117273)
Thin-Layer Chromatography 0.42 (cyclohexane/ethyl acetate, 90:10)
Wiley ID 1897554