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3-Phenethyl-5-[(1S)-1-phenylbutoxy]-2-isoxazoline
SpectraBase Compound ID K7gYLeAWFqY
InChI InChI=1S/C21H25NO2/c1-2-9-20(18-12-7-4-8-13-18)23-21-16-19(22-24-21)15-14-17-10-5-3-6-11-17/h3-8,10-13,20-21H,2,9,14-16H2,1H3/t20-,21?/m0/s1
InChIKey ALRHCFMDOVGLPB-BGERDNNASA-N
Mol Weight 323.44 g/mol
Molecular Formula C21H25NO2
Exact Mass 323.188529 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 5xZKPvyxvPn
Name 3-Phenethyl-5-[(1S)-1-phenylbutoxy]-2-isoxazoline
Alternate Name(s) 5-[(1S)-1-phenylbutoxy]-3-(2-phenylethyl)-4,5-dihydroisoxazole
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H25NO2
InChI InChI=1S/C21H25NO2/c1-2-9-20(18-12-7-4-8-13-18)23-21-16-19(22-24-21)15-14-17-10-5-3-6-11-17/h3-8,10-13,20-21H,2,9,14-16H2,1H3/t20-,21?/m0/s1
InChIKey ALRHCFMDOVGLPB-BGERDNNASA-N
Molecular Weight 323.436 g/mol
SMILES C1(ON=C(C1)CCc1ccccc1)O[C@](c1ccccc1)(CCC)[H]
SPLASH splash10-001i-0900000000-5006c8fec563b599fafe
Source of Spectrum KC-0-957-19
Wiley ID 781072