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Ethyl (2E)-2-cyano-3-(4-[(4-methyl-2-oxido-1,2,5-oxadiazol-3-yl)methoxy]phenyl)-2-propenoate
SpectraBase Compound ID JqD42xCu9yK
InChI InChI=1S/C16H15N3O5/c1-3-22-16(20)13(9-17)8-12-4-6-14(7-5-12)23-10-15-11(2)18-24-19(15)21/h4-8H,3,10H2,1-2H3/b13-8+
InChIKey KLYJXXXQHNDAHB-MDWZMJQESA-N
Mol Weight 329.31 g/mol
Molecular Formula C16H15N3O5
Exact Mass 329.101171 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID AxBl4r18n4d
Name Ethyl (2E)-2-cyano-3-(4-[(4-methyl-2-oxido-1,2,5-oxadiazol-3-yl)methoxy]phenyl)-2-propenoate
Alternate Name(s) (E)-2-cyano-3-[4-[(4-methyl-2-oxido-1,2,5-oxadiazol-2-ium-3-yl)methoxy]phenyl]-2-propenoic acid ethyl ester (E)-2-cyano-3-[4-[(4-methyl-2-oxido-furazan-2-ium-3-yl)methoxy]phenyl]acrylic acid ethyl ester Ethyl (E)-2-cyano-3-[4-[(4-methyl-2-oxidanidyl-1,2,5-oxadiazol-2-ium-3-yl)methoxy]phenyl]prop-2-enoate Ethyl (E)-2-cyano-3-[4-[(4-methyl-2-oxido-1,2,5-oxadiazol-2-ium-3-yl)methoxy]phenyl]prop-2-enoate Propenoic acid, 2-cyano-3-[4-(4-methyl-3-furoxanylmethoxy)phenyl-, ethyl ester
CAS Registry Number 346456-60-8
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H15N3O5
InChI InChI=1S/C16H15N3O5/c1-3-22-16(20)13(9-17)8-12-4-6-14(7-5-12)23-10-15-11(2)18-24-19(15)21/h4-8H,3,10H2,1-2H3/b13-8+
InChIKey KLYJXXXQHNDAHB-MDWZMJQESA-N
Molecular Weight 329.312 g/mol
SMILES CCOC(\C(=C\c1ccc(OCc2[n+](onc2C)[O-])cc1)C#N)=O
SPLASH splash10-03di-6931000000-f23eddca625525608471
Source of Spectrum AD-0-2532-0
Wiley ID 1431752