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Methyl 5-(((4-(dodecyloxy)phenyl)sulfonyl)oxy)-1-methyl-3-oxo-1,3-dihydrobenzo[c]isoxazole-7-carboxylate
SpectraBase Compound ID AZrkQAcJ7ZG
InChI InChI=1S/C28H37NO8S/c1-4-5-6-7-8-9-10-11-12-13-18-35-21-14-16-23(17-15-21)38(32,33)37-22-19-24(27(30)34-3)26-25(20-22)28(31)36-29(26)2/h14-17,19-20H,4-13,18H2,1-3H3
InChIKey QYSBWBQZKLGQTB-UHFFFAOYSA-N
Mol Weight 547.7 g/mol
Molecular Formula C28H37NO8S
Exact Mass 547.223988 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 9SyAooezQML
Name Methyl 5-(((4-(dodecyloxy)phenyl)sulfonyl)oxy)-1-methyl-3-oxo-1,3-dihydrobenzo[c]isoxazole-7-carboxylate
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Formula C28H37NO8S
InChI InChI=1S/C28H37NO8S/c1-4-5-6-7-8-9-10-11-12-13-18-35-21-14-16-23(17-15-21)38(32,33)37-22-19-24(27(30)34-3)26-25(20-22)28(31)36-29(26)2/h14-17,19-20H,4-13,18H2,1-3H3
InChIKey QYSBWBQZKLGQTB-UHFFFAOYSA-N
Molecular Weight 547.663 g/mol
SMILES CCCCCCCCCCCCOc1ccc(cc1)S(=O)(=O)Oc1cc(C(=O)OC)c2N(C)OC(=O)c2c1
SPLASH splash10-00di-6290000000-d307e323aa0f076b8c37
Source of Spectrum JX-2015-4-1158
Wiley ID 1726552