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(+)-Faranal
SpectraBase Compound ID 3EcVAk5twLn
InChI InChI=1S/C17H30O/c1-6-14(2)8-7-9-15(3)10-11-16(4)17(5)12-13-18/h8,10,13,16-17H,6-7,9,11-12H2,1-5H3/t16-,17+/m1/s1
InChIKey RXBWBMXVYZIXDB-SJORKVTESA-N
Mol Weight 250.43 g/mol
Molecular Formula C17H30O
Exact Mass 250.229666 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 7f0eUFFV1y
Name (+)-Faranal
Appearance Colorless oil
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C17H30O
InChI InChI=1S/C17H30O/c1-6-14(2)8-7-9-15(3)10-11-16(4)17(5)12-13-18/h8,10,13,16-17H,6-7,9,11-12H2,1-5H3/t16-,17+/m1/s1
InChIKey RXBWBMXVYZIXDB-SJORKVTESA-N
Instrument Name FINNIGAN MAT 95Q
Ionization Type EI
Literature Reference DOI 10.1002/anie.201811330
Molecular Weight 250.426 g/mol
Optical Rotation [a]D20 = +16.4 (c = 0.5, CHCl3)
Reported Formula C17H30O
SMILES CC(CC)=CCCC(C)=CC[C@]([C@@](C)(CC=O)[H])(C)[H]
SPLASH splash10-0a7j-9300000000-eef3304fed8daeae31de
Sample Comments dr = 97:3, 99% ee, 99% ee
Source of Spectrum ACI-58-SM52-9
Synonyms (3S,4R)-3,4,7,11-tetramethyltrideca-6,10-dienal
Wiley ID 1840567