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Ethyl (2E,1S,4R,5R,6S)-5-(3-Formyl-5-nitro-4,6-diphenylcyclohex-2-enyl)pent-2-enoate
SpectraBase Compound ID K0iTXcF7tPn
InChI InChI=1S/C26H27NO5/c1-2-32-23(29)16-10-9-15-21-17-22(18-28)25(20-13-7-4-8-14-20)26(27(30)31)24(21)19-11-5-3-6-12-19/h3-8,10-14,16-18,21,24-26H,2,9,15H2,1H3/b16-10+/t21?,24-,25-,26-/m1/s1
InChIKey MZHIBZKGQPYVRT-HYUIOZBUSA-N
Mol Weight 433.5 g/mol
Molecular Formula C26H27NO5
Exact Mass 433.188923 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID KtL4t3UaI57
Name Ethyl (2E,1S,4R,5R,6S)-5-(3-Formyl-5-nitro-4,6-diphenylcyclohex-2-enyl)pent-2-enoate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C26H27NO5
InChI InChI=1S/C26H27NO5/c1-2-32-23(29)16-10-9-15-21-17-22(18-28)25(20-13-7-4-8-14-20)26(27(30)31)24(21)19-11-5-3-6-12-19/h3-8,10-14,16-18,21,24-26H,2,9,15H2,1H3/b16-10+/t21?,24-,25-,26-/m1/s1
InChIKey MZHIBZKGQPYVRT-HYUIOZBUSA-N
Molecular Weight 433.504 g/mol
SMILES [C@@]1(N(=O)=O)([C@@](C(=CC([C@]1(c1ccccc1)[H])CC\C=C\C(=O)OCC)C=O)(c1ccccc1)[H])[H]
SPLASH splash10-00kf-9653000000-f0cd26f4478e6fd612cd
Source of Spectrum F4-43-1893-9
Wiley ID 1675678