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7-Oxo-7-[3-(5-phenoxymethyl-isoxazol-3-yl)-bicyclo[2.2.1]hept-2-yl]-heptanoic acid methyl ester
SpectraBase Compound ID KPImwcu1zVV
InChI InChI=1S/C25H31NO5/c1-29-23(28)11-7-3-6-10-22(27)25-18-13-12-17(14-18)24(25)21-15-20(31-26-21)16-30-19-8-4-2-5-9-19/h2,4-5,8-9,15,17-18,24-25H,3,6-7,10-14,16H2,1H3/t17-,18+,24+,25+/m1/s1
InChIKey GLDFESKNOXOUBW-GXZJQHSTSA-N
Mol Weight 425.53 g/mol
Molecular Formula C25H31NO5
Exact Mass 425.220223 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2RrqWPiXw4N
Name 7-Oxo-7-[3-(5-phenoxymethyl-isoxazol-3-yl)-bicyclo[2.2.1]hept-2-yl]-heptanoic acid methyl ester
Alternate Name(s) Methyl 7-oxo-7-{3-[5-(phenoxymethyl)-3-isoxazolyl]bicyclo[2.2.1]hept-2-yl}heptanoate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C25H31NO5
InChI InChI=1S/C25H31NO5/c1-29-23(28)11-7-3-6-10-22(27)25-18-13-12-17(14-18)24(25)21-15-20(31-26-21)16-30-19-8-4-2-5-9-19/h2,4-5,8-9,15,17-18,24-25H,3,6-7,10-14,16H2,1H3/t17-,18+,24+,25+/m1/s1
InChIKey GLDFESKNOXOUBW-GXZJQHSTSA-N
Molecular Weight 425.525 g/mol
SMILES [C@@]1([C@]2(C[C@](CC2)([C@]1(C(CCCCCC(OC)=O)=O)[H])[H])[H])(c1cc(on1)COc1ccccc1)[H]
SPLASH splash10-0uxu-9451000000-e755687b77747d8fc329
Wiley ID 1438593