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(3S,5S)-5-methyl-1-phenylhept-1-yn-3-ol
SpectraBase Compound ID Gakp9tT9Hm2
InChI InChI=1S/C14H18O/c1-3-12(2)11-14(15)10-9-13-7-5-4-6-8-13/h4-8,12,14-15H,3,11H2,1-2H3/t12-,14+/m0/s1
InChIKey HCPKOPHQRPRJTM-GXTWGEPZSA-N
Mol Weight 202.3 g/mol
Molecular Formula C14H18O
Exact Mass 202.135765 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID HSzhSAJbJgW
Name (3S,5S)-5-methyl-1-phenylhept-1-yn-3-ol
Appearance Colorless oil
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 202.135765199 u
Formula C14H18O
InChI InChI=1S/C14H18O/c1-3-12(2)11-14(15)10-9-13-7-5-4-6-8-13/h4-8,12,14-15H,3,11H2,1-2H3/t12-,14+/m0/s1
InChIKey HCPKOPHQRPRJTM-GXTWGEPZSA-N
Instrument Name ThermoFischer Scientific DSQII quadripolar-TraceUltra GC
Ionization Type EI
Literature Reference DOI 10.1002/chem.201501294
Molecular Weight 202.297 g/mol
Quality 228
Reported Formula C14H18O
SMILES O[C@@](C[C@@](C)(CC)[H])(C#CC1=CC=CC=C1)[H]
SPLASH splash10-001i-1900000000-51b3bb6e848441a10ed0
Sample Comments dr = 1:1
Source of Spectrum QE-21-SM18-18-1 (DOI: 10.1002/chem.201501294)
Wiley ID 1909142