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(R)-1-(cyclohepta-2,4,6-trien-1-yl)-3-methylbut-3-en-1-ol
SpectraBase Compound ID LAexCnJvTiN
InChI InChI=1S/C12H16O/c1-10(2)9-12(13)11-7-5-3-4-6-8-11/h3-8,11-13H,1,9H2,2H3/t12-/m1/s1
InChIKey YACPADZMVNCABV-GFCCVEGCSA-N
Mol Weight 176.26 g/mol
Molecular Formula C12H16O
Exact Mass 176.120115 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 9BsqOHcwuEJ
Name (R)-1-(cyclohepta-2,4,6-trien-1-yl)-3-methylbut-3-en-1-ol
Appearance Colourless oil
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 176.120115134 u
Formula C12H16O
InChI InChI=1S/C12H16O/c1-10(2)9-12(13)11-7-5-3-4-6-8-11/h3-8,11-13H,1,9H2,2H3/t12-/m1/s1
InChIKey YACPADZMVNCABV-GFCCVEGCSA-N
Instrument Name Agilent 7890A-5975
Ionization Type EI
Literature Reference DOI 10.1002/adsc.202300121
Molecular Weight 176.259 g/mol
Optical Rotation [a]D20 = -47.9 (c = 1.0, CH2Cl2)
Quality 920
Reported Formula C12H16O
SMILES O[C@@](C1C=CC=CC=C1)(CC(=C)C)[H]
SPLASH splash10-0006-9200000000-8d2d2c0f5585511c8cba
Sample Comments 28% ee
Source of Spectrum ASC-365-SM10-5i (DOI: 10.1002/adsc.202300121)
Wiley ID 1902747