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(E)-2-(3-(2-ethyl-1,3-dioxolan-2-yl)-2-nitroprop-1-enyl)-5-(4-phenylbutyl)-1H-pyrrole
SpectraBase Compound ID 4ggI3GywGcP
InChI InChI=1S/C22H28N2O4/c1-2-22(27-14-15-28-22)17-21(24(25)26)16-20-13-12-19(23-20)11-7-6-10-18-8-4-3-5-9-18/h3-5,8-9,12-13,16,23H,2,6-7,10-11,14-15,17H2,1H3/b21-16+
InChIKey FXZJDKOSXFJSSJ-LTGZKZEYSA-N
Mol Weight 384.48 g/mol
Molecular Formula C22H28N2O4
Exact Mass 384.204907 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID E9yM4mYjmGm
Name (E)-2-(3-(2-ethyl-1,3-dioxolan-2-yl)-2-nitroprop-1-enyl)-5-(4-phenylbutyl)-1H-pyrrole
Alternate Name(s) (E)-2-(3-(2-ethyl-1,3-dioxolan-2-yl)-2-nitroprop-1-en-1-yl)-5-(4-phenylbutyl)-1H-pyrrole
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C22H28N2O4
InChI InChI=1S/C22H28N2O4/c1-2-22(27-14-15-28-22)17-21(24(25)26)16-20-13-12-19(23-20)11-7-6-10-18-8-4-3-5-9-18/h3-5,8-9,12-13,16,23H,2,6-7,10-11,14-15,17H2,1H3/b21-16+
InChIKey FXZJDKOSXFJSSJ-LTGZKZEYSA-N
Literature Reference DOI 10.1002/adsc.201700790
Molecular Weight 384.476 g/mol
SMILES [nH]1c(ccc1CCCCc1ccccc1)\C=C/([N+](=O)[O-])CC1(CC)OCCO1
SPLASH splash10-0udi-2900000000-dfd0a8057035d0f558b0
Source of Spectrum ASC-359-3411-3d
Wiley ID 1807704