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Butanoic acid, 3-[[1-(2-phenylethyl)-2-propynyl]oxy]-, [R-(R*,R*)]-
SpectraBase Compound ID 1PxliEoRmf4
InChI InChI=1S/C15H18O3/c1-3-14(18-12(2)11-15(16)17)10-9-13-7-5-4-6-8-13/h1,4-8,12,14H,9-11H2,2H3,(H,16,17)/t12-,14+/m1/s1
InChIKey ZWMVARATRXIUTP-OCCSQVGLSA-N
Mol Weight 246.31 g/mol
Molecular Formula C15H18O3
Exact Mass 246.125594 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID L9QhVyshQIZ
Name Butanoic acid, 3-[[1-(2-phenylethyl)-2-propynyl]oxy]-, [R-(R*,R*)]-
Alternate Name(s) (3R)-3-{[(1R)-1-(2-phenylethyl)-2-propynyl]oxy}butanoic acid (3R,5R)-3-methyl-5-(2'phenylethyl)-4-oxahept-6-insaure
CAS Registry Number 99902-30-4
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C15H18O3
InChI InChI=1S/C15H18O3/c1-3-14(18-12(2)11-15(16)17)10-9-13-7-5-4-6-8-13/h1,4-8,12,14H,9-11H2,2H3,(H,16,17)/t12-,14+/m1/s1
InChIKey ZWMVARATRXIUTP-OCCSQVGLSA-N
Molecular Weight 246.306 g/mol
SMILES OC(C[C@](O[C@@](C#C)(CCc1ccccc1)[H])(C)[H])=O
SPLASH splash10-0006-6900000000-ed7286dc3e50cbb89dc2
Source of Spectrum H-70-461-26
Wiley ID 1249202