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Diethyl 5-methyl-2-((E)-2-(2-nitrophenyl)ethenyl)-5-(phenylethynyl)oxolane-3,3-dicarboxylate
SpectraBase Compound ID F4LDJvjLyYP
InChI InChI=1S/C27H27NO7/c1-4-33-24(29)27(25(30)34-5-2)19-26(3,18-17-20-11-7-6-8-12-20)35-23(27)16-15-21-13-9-10-14-22(21)28(31)32/h6-16,23H,4-5,19H2,1-3H3/b16-15+/t23-,26-/m1/s1
InChIKey HOKBIZAAMIALNR-WGTUYEPRSA-N
Mol Weight 477.51 g/mol
Molecular Formula C27H27NO7
Exact Mass 477.178752 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID ByOOuoIqkEi
Name Diethyl 5-methyl-2-((E)-2-(2-nitrophenyl)ethenyl)-5-(phenylethynyl)oxolane-3,3-dicarboxylate
Alternate Name(s) (2R,5S)-diethyl 5-methyl-2-((E)-2-nitrostyryl)-5-(phenylethynyl)dihydrofuran-3,3(2H)-dicarboxylate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C27H27NO7
InChI InChI=1S/C27H27NO7/c1-4-33-24(29)27(25(30)34-5-2)19-26(3,18-17-20-11-7-6-8-12-20)35-23(27)16-15-21-13-9-10-14-22(21)28(31)32/h6-16,23H,4-5,19H2,1-3H3/b16-15+/t23-,26-/m1/s1
InChIKey HOKBIZAAMIALNR-WGTUYEPRSA-N
Literature Reference DOI 10.1021/ol400809n
Molecular Weight 477.513 g/mol
SMILES C1(C(OCC)=O)([C@](O[C@](C)(C#Cc2ccccc2)C1)(\C=C\c1c(cccc1)[N+](=O)[O-])[H])C(=O)OCC
SPLASH splash10-0zfr-0793000000-b8d33634a32a822d33fb
Source of Spectrum A1-15-2262/SMS8-trans_3d
Wiley ID 1748606