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4-BROMO-3-[PARA-(3'-(4-METHOXYPHENYL)-ACRYL-1'-OYL)]-PHENYLSYDNONE
SpectraBase Compound ID 75WWme4rrfZ
InChI InChI=1S/C18H13BrN2O4/c1-24-15-9-2-12(3-10-15)4-11-16(22)13-5-7-14(8-6-13)21-17(19)18(23)25-20-21/h2-11H,1H3/b11-4+
InChIKey LKINRBRZIBVBAV-NYYWCZLTSA-N
Mol Weight 401.22 g/mol
Molecular Formula C18H13BrN2O4
Exact Mass 400.00587 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID GTJpTH41z9u
Name 4-Bromo-3-[p-(3'-acryl-1'-oyl)phenyl]-sydnone
Alternate Name(s) 4-Bromo-3-[4-[(E)-3-(4-methoxyphenyl)-1-oxoprop-2-enyl]phenyl]-5-oxadiazol-3-iumolate 4-Bromo-3-[4-[(E)-3-(4-methoxyphenyl)prop-2-enoyl]phenyl]oxadiazol-3-ium-5-olate 4-Bromanyl-3-[4-[(E)-3-(4-methoxyphenyl)prop-2-enoyl]phenyl]-1,2,3-oxadiazol-3-ium-5-olate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C18H13BrN2O4
InChI InChI=1S/C18H13BrN2O4/c1-24-15-9-2-12(3-10-15)4-11-16(22)13-5-7-14(8-6-13)21-17(19)18(23)25-20-21/h2-11H,1H3/b11-4+
InChIKey LKINRBRZIBVBAV-NYYWCZLTSA-N
Molecular Weight 401.216 g/mol
SMILES c1([n+](noc1[O-])-c1ccc(C(\C=C\c2ccc(cc2)OC)=O)cc1)Br
SPLASH splash10-00xr-0191100000-136ac9c38aad3cc4b34a
Source of Spectrum AJ-43-347-3
Wiley ID 1593916