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2-[1'-Ethyl-5'-hydroxy-2'-(p-hydroxyphenyl)indol-3'-yl]-1,3-dinitropropane
SpectraBase Compound ID DjAykuFlohy
InChI InChI=1S/C19H19N3O6/c1-2-20-17-8-7-15(24)9-16(17)18(13(10-21(25)26)11-22(27)28)19(20)12-3-5-14(23)6-4-12/h3-9,13,23-24H,2,10-11H2,1H3
InChIKey VFZWKKPBVLBWOK-UHFFFAOYSA-N
Mol Weight 385.38 g/mol
Molecular Formula C19H19N3O6
Exact Mass 385.127385 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 6hpfHXzJLIH
Name 2-[1'-Ethyl-5'-hydroxy-2'-(p-hydroxyphenyl)indol-3'-yl]-1,3-dinitropropane
Alternate Name(s) 1-Ethyl-2-(4-hydroxyphenyl)-3-[2-nitro-1-(nitromethyl)ethyl]-1H-indol-5-ol
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C19H19N3O6
InChI InChI=1S/C19H19N3O6/c1-2-20-17-8-7-15(24)9-16(17)18(13(10-21(25)26)11-22(27)28)19(20)12-3-5-14(23)6-4-12/h3-9,13,23-24H,2,10-11H2,1H3
InChIKey VFZWKKPBVLBWOK-UHFFFAOYSA-N
Molecular Weight 385.376 g/mol
SMILES Oc1ccc2c(c(c(-c3ccc(cc3)O)[n]2CC)C(CN(=O)=O)CN(=O)=O)c1
SPLASH splash10-000i-0039000000-511f179e08a64d514cc3
Source of Spectrum D8-327-355-16
Wiley ID 1515233