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(S)-2-Methyl-5-Phenylpent-4-yn-1-ol
SpectraBase Compound ID 6tg2UMJUl1A
InChI InChI=1S/C12H14O/c1-11(10-13)6-5-9-12-7-3-2-4-8-12/h2-4,7-8,11,13H,6,10H2,1H3/t11-/m0/s1
InChIKey FPSJAUNNCRPZBQ-NSHDSACASA-N
Mol Weight 174.24 g/mol
Molecular Formula C12H14O
Exact Mass 174.104465 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID E9QOZyu5Nk1
Name (S)-2-Methyl-5-Phenylpent-4-yn-1-ol
Appearance Pale yellow oil
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H14O
InChI InChI=1S/C12H14O/c1-11(10-13)6-5-9-12-7-3-2-4-8-12/h2-4,7-8,11,13H,6,10H2,1H3/t11-/m0/s1
InChIKey FPSJAUNNCRPZBQ-NSHDSACASA-N
Ionization Type EI
Literature Reference DOI 10.1002/adsc.201900177
Molecular Weight 174.243 g/mol
Optical Rotation [a]D = -11.7 (c = 2.5, CHCl3)
SMILES OC[C@](CC#Cc1ccccc1)(C)[H]
SPLASH splash10-014i-0900000000-feeffcec827e1ee65985
Sample Comments 96% ee
Source of Spectrum ASC-361-2645-(S)-10a
Wiley ID 1836662