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(1R,2S)-1-(cyclohepta-2,4,6-trien-1-yl)-2-cyclohexylbut-3-en-1-ol
SpectraBase Compound ID 7qFC5ecwHoc
InChI InChI=1S/C17H24O/c1-2-16(14-10-8-5-9-11-14)17(18)15-12-6-3-4-7-13-15/h2-4,6-7,12-18H,1,5,8-11H2/t16-,17-/m0/s1
InChIKey HFUDSVIWEUSFBZ-IRXDYDNUSA-N
Mol Weight 244.38 g/mol
Molecular Formula C17H24O
Exact Mass 244.182715 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 1M2JsbUKqL9
Name (1R,2S)-1-(cyclohepta-2,4,6-trien-1-yl)-2-cyclohexylbut-3-en-1-ol
Appearance Colourless oil
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 244.182715392 u
Formula C17H24O
InChI InChI=1S/C17H24O/c1-2-16(14-10-8-5-9-11-14)17(18)15-12-6-3-4-7-13-15/h2-4,6-7,12-18H,1,5,8-11H2/t16-,17-/m0/s1
InChIKey HFUDSVIWEUSFBZ-IRXDYDNUSA-N
Instrument Name Agilent 7890A-5975
Ionization Type EI
Literature Reference DOI 10.1002/adsc.202300121
Molecular Weight 244.378 g/mol
Optical Rotation [a]D20 = -11.6 (c = 2.0, CH2Cl2)
Quality 914
Reported Formula C17H24O
SMILES O[C@@](C1C=CC=CC=C1)([C@@](C=C)(C1CCCCC1)[H])[H]
SPLASH splash10-007o-9300000000-4c2e70feb5868522b39d
Sample Comments 66% ee
Source of Spectrum ASC-365-SM8-5e (DOI: 10.1002/adsc.202300121)
Wiley ID 1902743