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Benzyl 5-butyl-3-(thiophen-2-yl) isoxazole-2(3H)-carboxylate
SpectraBase Compound ID 5El2IQR2Rw4
InChI InChI=1S/C19H21NO3S/c1-2-3-10-16-13-17(18-11-7-12-24-18)20(23-16)19(21)22-14-15-8-5-4-6-9-15/h4-9,11-13,17H,2-3,10,14H2,1H3
InChIKey QCODDTCHGZSTCY-UHFFFAOYSA-N
Mol Weight 343.44 g/mol
Molecular Formula C19H21NO3S
Exact Mass 343.124215 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID ECLOLCzyJpz
Name Benzyl 5-butyl-3-(thiophen-2-yl) isoxazole-2(3H)-carboxylate
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Formula C19H21NO3S
InChI InChI=1S/C19H21NO3S/c1-2-3-10-16-13-17(18-11-7-12-24-18)20(23-16)19(21)22-14-15-8-5-4-6-9-15/h4-9,11-13,17H,2-3,10,14H2,1H3
InChIKey QCODDTCHGZSTCY-UHFFFAOYSA-N
Literature Reference DOI 10.1002/adsc.200900127
Molecular Weight 343.441 g/mol
SMILES C1(N(OC(=C1)CCCC)C(=O)OCc1ccccc1)c1cccs1
SPLASH splash10-052f-9161000000-b81e7e969870b0000b2e
Source of Spectrum ASC-351-1997-4fb
Synonyms Benzyl 5-butyl-3-(thiophen-2-yl)isoxazole-2(3H)-carboxylate 5-Butyl-3-thiophen-2-yl-3H-isoxazole-2-carboxylic acid (phenylmethyl) ester Benzyl 5-butyl-3-thiophen-2-yl-3H-1,2-oxazole-2-carboxylate Benzyl 5-butyl-3-(2-thienyl)-3H-isoxazole-2-carboxylate (phenylmethyl) 5-butyl-3-thiophen-2-yl-3H-1,2-oxazole-2-carboxylate
Wiley ID 1763276