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trans-3-carbethoxy-4-methyl-5-phenyl-2-isoxazoline
SpectraBase Compound ID 4aQKjp1qyWg
InChI InChI=1S/C13H15NO3/c1-3-16-13(15)11-9(2)12(17-14-11)10-7-5-4-6-8-10/h4-9,12H,3H2,1-2H3/t9-,12-/m0/s1
InChIKey ZXHKNUOUYTTYBW-CABZTGNLSA-N
Mol Weight 233.27 g/mol
Molecular Formula C13H15NO3
Exact Mass 233.105193 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Fua51G7HzQe
Name trans-3-carbethoxy-4-methyl-5-phenyl-2-isoxazoline
Alternate Name(s) Ethyl (4S,5S)-4-methyl-5-phenyl-4,5-dihydro-3-isoxazolecarboxylate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H15NO3
InChI InChI=1S/C13H15NO3/c1-3-16-13(15)11-9(2)12(17-14-11)10-7-5-4-6-8-10/h4-9,12H,3H2,1-2H3/t9-,12-/m0/s1
InChIKey ZXHKNUOUYTTYBW-CABZTGNLSA-N
Molecular Weight 233.267 g/mol
SMILES C1(=NO[C@@]([C@]1(C)[H])(c1ccccc1)[H])C(=O)OCC
SPLASH splash10-014i-0940000000-93ebacf3af8fed789c03
Source of Spectrum O-29-232-0
Wiley ID 1234944