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(3R*,4S*)-3,4-Epoxy-7-hydroxy-1-p-tolylhept-1-yne
SpectraBase Compound ID 7eYsu5EiVWE
InChI InChI=1S/C14H16O2/c1-11-4-6-12(7-5-11)8-9-14-13(16-14)3-2-10-15/h4-7,13-15H,2-3,10H2,1H3/t13-,14+/m0/s1
InChIKey AAEGOMNDLNHBNO-UONOGXRCSA-N
Mol Weight 216.28 g/mol
Molecular Formula C14H16O2
Exact Mass 216.11503 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID L65VzgeS2I9
Name (3R*,4S*)-3,4-Epoxy-7-hydroxy-1-p-tolylhept-1-yne
Alternate Name(s) 3-{(2S,3R)-3-[(4-methylphenyl)ethynyl]oxiranyl}-1-propanol
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C14H16O2
InChI InChI=1S/C14H16O2/c1-11-4-6-12(7-5-11)8-9-14-13(16-14)3-2-10-15/h4-7,13-15H,2-3,10H2,1H3/t13-,14+/m0/s1
InChIKey AAEGOMNDLNHBNO-UONOGXRCSA-N
Molecular Weight 216.280 g/mol
SMILES OCCC[C@@]1(O[C@@]1(C#Cc1ccc(cc1)C)[H])[H]
SPLASH splash10-004i-0910000000-035cf433af9ebefbca97
Source of Spectrum F-54-836-3
Wiley ID 805514