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(6S,7S)-2,6-dimethyl-7-prop-1-enyl-undec-2-ene
SpectraBase Compound ID LHfssS7ve4G
InChI InChI=1S/C16H30/c1-6-8-13-16(10-7-2)15(5)12-9-11-14(3)4/h7,10-11,15-16H,6,8-9,12-13H2,1-5H3/t15-,16-/m0/s1
InChIKey MMEUQHIORJIEFL-HOTGVXAUSA-N
Mol Weight 222.42 g/mol
Molecular Formula C16H30
Exact Mass 222.234751 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID C9Aw9i47ble
Name (6S,7S)-2,6-dimethyl-7-prop-1-enyl-undec-2-ene
Appearance Colorless oil
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H30
InChI InChI=1S/C16H30/c1-6-8-13-16(10-7-2)15(5)12-9-11-14(3)4/h7,10-11,15-16H,6,8-9,12-13H2,1-5H3/t15-,16-/m0/s1
InChIKey MMEUQHIORJIEFL-HOTGVXAUSA-N
Instrument Name FINNIGAN MAT 95Q
Ionization Type EI
Literature Reference DOI 10.1002/anie.201811330
Molecular Weight 222.416 g/mol
Optical Rotation [a]D20 = -2.4 (c = 1.0, CHCl3)
Reported Formula C16H30
SMILES CC(C)=CCC[C@@]([C@@](C=CC)(CCCC)[H])(C)[H]
SPLASH splash10-0aos-9600000000-c36adef1f7971fd5b16f
Sample Comments dr = 95:5, 99% ee, 99% ee
Source of Spectrum ACI-58-SM23-3S,4S-6c
Wiley ID 1840561