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Benzyl 5-butyl-3-p-tolylisoxazole-2(3H)-carboxylate
SpectraBase Compound ID ArCessPRgft
InChI InChI=1S/C22H25NO3/c1-3-4-10-20-15-21(19-13-11-17(2)12-14-19)23(26-20)22(24)25-16-18-8-6-5-7-9-18/h5-9,11-15,21H,3-4,10,16H2,1-2H3
InChIKey QXBKFQGRNMMPSY-UHFFFAOYSA-N
Mol Weight 351.45 g/mol
Molecular Formula C22H25NO3
Exact Mass 351.183444 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 8mwGEzCfIVz
Name Benzyl 5-butyl-3-p-tolylisoxazole-2(3H)-carboxylate
Alternate Name(s) Benzyl 5-butyl-3-(p-tolyl)isoxazole-2(3H)-carboxylate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C22H25NO3
InChI InChI=1S/C22H25NO3/c1-3-4-10-20-15-21(19-13-11-17(2)12-14-19)23(26-20)22(24)25-16-18-8-6-5-7-9-18/h5-9,11-15,21H,3-4,10,16H2,1-2H3
InChIKey QXBKFQGRNMMPSY-UHFFFAOYSA-N
Literature Reference DOI 10.1002/adsc.200900127
Molecular Weight 351.446 g/mol
SMILES C1(N(OC(=C1)CCCC)C(=O)OCc1ccccc1)c1ccc(cc1)C
SPLASH splash10-00kf-9442000000-7ff24fa3738210d22eed
Source of Spectrum ASC-351-1996-4db
Wiley ID 1763274