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(E)-2-(3-(1,3-dioxan-2-yl)-2-nitroprop-1-enyl)-5-nonyl-1H-pyrrole
SpectraBase Compound ID BSO8HWW8Utb
InChI InChI=1S/C20H32N2O4/c1-2-3-4-5-6-7-8-10-17-11-12-18(21-17)15-19(22(23)24)16-20-25-13-9-14-26-20/h11-12,15,20-21H,2-10,13-14,16H2,1H3/b19-15+
InChIKey VJCRITCUYMIGIA-XDJHFCHBSA-N
Mol Weight 364.5 g/mol
Molecular Formula C20H32N2O4
Exact Mass 364.236208 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID LUNxzFSYIw7
Name (E)-2-(3-(1,3-dioxan-2-yl)-2-nitroprop-1-enyl)-5-nonyl-1H-pyrrole
Alternate Name(s) (E)-2-(3-(1,3-dioxan-2-yl)-2-nitroprop-1-en-1-yl)-5-nonyl-1H-pyrrole
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C20H32N2O4
InChI InChI=1S/C20H32N2O4/c1-2-3-4-5-6-7-8-10-17-11-12-18(21-17)15-19(22(23)24)16-20-25-13-9-14-26-20/h11-12,15,20-21H,2-10,13-14,16H2,1H3/b19-15+
InChIKey VJCRITCUYMIGIA-XDJHFCHBSA-N
Literature Reference DOI 10.1002/adsc.201700790
Molecular Weight 364.486 g/mol
SMILES [nH]1c(ccc1CCCCCCCCC)\C=C/([N+](=O)[O-])CC1OCCCO1
SPLASH splash10-000i-9000000000-e37af74db65c94fb0d94
Source of Spectrum ASC-359-3411-3j
Wiley ID 1807710